Name: Name:5H-Pyrrolo[2,1-c]-1,2,4-triazole-5-carboxylicacid,6,7-dihydro-3-methyl-,methylester(9CI)
Brand: Angene
SKU: AG00B2V2
Rating: 90 (10 reviews)

5H-Pyrrolo[2,1-c]-1,2,4-triazole-5-carboxylicacid,6,7-dihydro-3-methyl-,methylester(9CI)

CAS No.:

160205-11-8

Catalog Number:

AG00B2V2

Molecular Formula:

C8H11N3O2

Molecular Weight:

181.1918

Catalog Number:

AG00B2V2

Chemical Name:

5H-Pyrrolo[2,1-c]-1,2,4-triazole-5-carboxylicacid,6,7-dihydro-3-methyl-,methylester(9CI)

CAS Number:

160205-11-8

Molecular Formula:

C8H11N3O2

Molecular Weight:

181.1918

MDL Number:

MFCD18089079

IUPAC Name:

methyl 3-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxylate

InChI:

InChI=1S/C8H11N3O2/c1-5-9-10-7-4-3-6(11(5)7)8(12)13-2/h6H,3-4H2,1-2H3

InChI Key:

BTSLIEXNBPMOGD-UHFFFAOYSA-N

SMILES:

COC(=O)C1CCc2n1c(C)nn2

Complexity:

221

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

181.085g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

181.195g/mol

Monoisotopic Mass:

181.085g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

57A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.3