Name: Name:3-amino-2,5-dihydro-1,2,4-triazin-5-one
Brand: Angene
SKU: AG01A3TI
Rating: 90 (10 reviews)

3-amino-2,5-dihydro-1,2,4-triazin-5-one

CAS No.:

1121-90-0

Catalog Number:

AG01A3TI

Molecular Formula:

C3H4N4O

Molecular Weight:

112.0901

Pack Size

Purity

Availability

Location

Price(USD)

Quantity

Product Description

Catalog Number:

AG01A3TI

Chemical Name:

3-amino-2,5-dihydro-1,2,4-triazin-5-one

CAS Number:

1121-90-0

Molecular Formula:

C3H4N4O

Molecular Weight:

112.0901

IUPAC Name:

3-amino-4H-1,2,4-triazin-5-one

InChI:

InChI=1S/C3H4N4O/c4-3-6-2(8)1-5-7-3/h1H,(H3,4,6,7,8)

InChI Key:

OWAYVVLCHUWASK-UHFFFAOYSA-N

SMILES:

O=c1cn[nH]c(n1)N

Properties

Complexity:

170

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

112.039g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

112.092g/mol

Monoisotopic Mass:

112.039g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

79.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-1.2

Literature

Title	Journal
The most stable tautomer of 3-amino-1,2,4-triazin-5-one and its structural geometry.	Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20081001
Crystal structure of 3-amino-1,2,4-triazin-5(2H)-one.	Analytical sciences : the international journal of the Japan Society for Analytical Chemistry 20020601