Name: Name:3-Hydroxymethyl-7,8-dihydro-4h,6h-1,2,5,8a-tetraaza-azulene-5-carboxylic acid tert-butyl ester
Brand: Angene
SKU: AG00HHXP
Rating: 90 (10 reviews)

3-Hydroxymethyl-7,8-dihydro-4h,6h-1,2,5,8a-tetraaza-azulene-5-carboxylic acid tert-butyl ester

CAS No.:

1250997-43-3

Catalog Number:

AG00HHXP

Molecular Formula:

C12H20N4O3

Molecular Weight:

268.3122

Catalog Number:

AG00HHXP

Chemical Name:

3-Hydroxymethyl-7,8-dihydro-4h,6h-1,2,5,8a-tetraaza-azulene-5-carboxylic acid tert-butyl ester

CAS Number:

1250997-43-3

Molecular Formula:

C12H20N4O3

Molecular Weight:

268.3122

MDL Number:

MFCD17017142

IUPAC Name:

tert-butyl 3-(hydroxymethyl)-4,6,7,8-tetrahydrotriazolo[1,5-a][1,4]diazepine-5-carboxylate

InChI:

InChI=1S/C12H20N4O3/c1-12(2,3)19-11(18)15-5-4-6-16-10(7-15)9(8-17)13-14-16/h17H,4-8H2,1-3H3

InChI Key:

QCLNGWUNMVHGGS-UHFFFAOYSA-N

SMILES:

OCc1nnn2c1CN(CCC2)C(=O)OC(C)(C)C

Complexity:

331

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

268.154g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

268.317g/mol

Monoisotopic Mass:

268.154g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

80.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.4