1-amino-N-(2H-tetrazol-5-ylmethyl)isoquinoline-4-carboxamide

C12H11N7O — CID 106771195

IUPAC1-amino-N-(2H-tetrazol-5-ylmethyl)isoquinoline-4-carboxamide
SMILESNc1ncc(C(=O)NCc2nn[nH]n2)c2ccccc12
InChIInChI=1S/C12H11N7O/c13-11-8-4-2-1-3-7(8)9(5-14-11)12(20)15-6-10-16-18-19-17-10/h1-5H,6H2,(H2,13,14)(H,15,20)(H,16,17,18,19)
InChIKeyCMORTOBCLXOUGG-UHFFFAOYSA-N
MW269.27 g/mol
LogP0.26
Rot. Bonds3

About 1-amino-N-(2H-tetrazol-5-ylmethyl)isoquinoline-4-carboxamide

1-amino-N-(2H-tetrazol-5-ylmethyl)isoquinoline-4-carboxamide (PubChem CID 106771195) has the molecular formula C12H11N7O and a molecular weight of 269.27 g/mol. Its IUPAC name is 1-amino-N-(2H-tetrazol-5-ylmethyl)isoquinoline-4-carboxamide.

Molecular Properties

Compound Name1-amino-N-(2H-tetrazol-5-ylmethyl)isoquinoline-4-carboxamide
PubChem CID106771195
Molecular FormulaC12H11N7O
Molecular Weight269.27 g/mol
Exact Mass269.10
IUPAC Name1-amino-N-(2H-tetrazol-5-ylmethyl)isoquinoline-4-carboxamide
SMILESNc1ncc(C(=O)NCc2nn[nH]n2)c2ccccc12
InChIInChI=1S/C12H11N7O/c13-11-8-4-2-1-3-7(8)9(5-14-11)12(20)15-6-10-16-18-19-17-10/h1-5H,6H2,(H2,13,14)(H,15,20)(H,16,17,18,19)
InChIKeyCMORTOBCLXOUGG-UHFFFAOYSA-N
XLogP0.26
TPSA122.47 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-amino-N-(2H-tetrazol-5-ylmethyl)isoquinoline-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2H-tetrazol-5-ylmethyl)quinoline-4-carboxamide
CID 78954261
1-amino-N-(1,3-thiazol-5-ylmethyl)isoquinoline-4-carboxamide
CID 106772963
1-amino-N-(thiophen-2-ylmethyl)isoquinoline-4-carboxamide
CID 106770448
2-[(1-aminoisoquinoline-4-carbonyl)amino]ethyl carbamate
CID 106772640
N-(2H-tetrazol-5-ylmethyl)benzamide
CID 23176761
1-amino-N-(2-methoxyethyl)isoquinoline-4-carboxamide
CID 106770080
1-amino-N-(cyclopropylmethyl)isoquinoline-4-carboxamide
CID 106770157
1-amino-N-[2-(1H-imidazol-2-yl)ethyl]isoquinoline-4-carboxamide
CID 106772922
1-amino-N-(4,4,4-trifluorobutyl)isoquinoline-4-carboxamide
CID 106772541
1-amino-N-(2-ethoxyethyl)isoquinoline-4-carboxamide
CID 106769712
1-amino-N-(2-methylsulfanylpropyl)isoquinoline-4-carboxamide
CID 106772784
2-amino-3-nitro-N-(2H-tetrazol-5-ylmethyl)benzamide
CID 112696758

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(2H-tetrazol-5-ylmethyl)isoquinoline-4-carboxamide?
The IUPAC name of 1-amino-N-(2H-tetrazol-5-ylmethyl)isoquinoline-4-carboxamide (CID 106771195) is 1-amino-N-(2H-tetrazol-5-ylmethyl)isoquinoline-4-carboxamide.
What is the SMILES notation for 1-amino-N-(2H-tetrazol-5-ylmethyl)isoquinoline-4-carboxamide?
The canonical SMILES for 1-amino-N-(2H-tetrazol-5-ylmethyl)isoquinoline-4-carboxamide is Nc1ncc(C(=O)NCc2nn[nH]n2)c2ccccc12.
What is the InChIKey of 1-amino-N-(2H-tetrazol-5-ylmethyl)isoquinoline-4-carboxamide?
The InChIKey is CMORTOBCLXOUGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N7O/c13-11-8-4-2-1-3-7(8)9(5-14-11)12(20)15-6-10-16-18-19-17-10/h1-5H,6H2,(H2,13,14)(H,15,20)(H,16,17,18,19).
What are the key properties of 1-amino-N-(2H-tetrazol-5-ylmethyl)isoquinoline-4-carboxamide?
1-amino-N-(2H-tetrazol-5-ylmethyl)isoquinoline-4-carboxamide has a molecular weight of 269.27 g/mol, XLogP of 0.26, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(2H-tetrazol-5-ylmethyl)isoquinoline-4-carboxamide is sourced from PubChem (CID 106771195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).