N-[3-(5-methyltetrazol-1-yl)phenyl]quinoxaline-6-carboxamide

C17H13N7O — CID 131894718

IUPACN-[3-(5-methyltetrazol-1-yl)phenyl]quinoxaline-6-carboxamide
SMILESCc1nnnn1-c1cccc(NC(=O)c2ccc3nccnc3c2)c1
InChIInChI=1S/C17H13N7O/c1-11-21-22-23-24(11)14-4-2-3-13(10-14)20-17(25)12-5-6-15-16(9-12)19-8-7-18-15/h2-10H,1H3,(H,20,25)
InChIKeySKEAIPGEBLNBBE-UHFFFAOYSA-N
MW331.34 g/mol
LogP2.17
Rot. Bonds3

About N-[3-(5-methyltetrazol-1-yl)phenyl]quinoxaline-6-carboxamide

N-[3-(5-methyltetrazol-1-yl)phenyl]quinoxaline-6-carboxamide (PubChem CID 131894718) has the molecular formula C17H13N7O and a molecular weight of 331.34 g/mol. Its IUPAC name is N-[3-(5-methyltetrazol-1-yl)phenyl]quinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-[3-(5-methyltetrazol-1-yl)phenyl]quinoxaline-6-carboxamide
PubChem CID131894718
Molecular FormulaC17H13N7O
Molecular Weight331.34 g/mol
Exact Mass331.12
IUPAC NameN-[3-(5-methyltetrazol-1-yl)phenyl]quinoxaline-6-carboxamide
SMILESCc1nnnn1-c1cccc(NC(=O)c2ccc3nccnc3c2)c1
InChIInChI=1S/C17H13N7O/c1-11-21-22-23-24(11)14-4-2-3-13(10-14)20-17(25)12-5-6-15-16(9-12)19-8-7-18-15/h2-10H,1H3,(H,20,25)
InChIKeySKEAIPGEBLNBBE-UHFFFAOYSA-N
XLogP2.17
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[(2-methylcyclopropanecarbonyl)amino]-N-[3-(5-methyltetrazol-1-yl)phenyl]benzamide
CID 136576817
2-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]benzamide
CID 18717027
4-chloro-N-[3-(5-methyltetrazol-1-yl)phenyl]-3-(2-oxoimidazolidin-1-yl)benzamide
CID 136528613
2-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]-1,3-thiazole-5-carboxamide
CID 136579582
5-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]-1,3-oxazole-4-carboxamide
CID 136579121
4-(benzenesulfonylmethyl)-N-[3-(5-methyltetrazol-1-yl)phenyl]benzamide
CID 55762438
N-[3-(5-methyltetrazol-1-yl)phenyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide
CID 55677099
[3-(5-methyltetrazol-1-yl)phenyl]thiourea
CID 169356763
3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]-N-[3-(5-methyltetrazol-1-yl)phenyl]benzamide
CID 55676403
4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[3-(5-methyltetrazol-1-yl)phenyl]benzamide
CID 55677091
N-(3-bromo-4-methylphenyl)quinoxaline-6-carboxamide
CID 60730289
5-chloro-N-[3-(5-methyltetrazol-1-yl)phenyl]pentanamide
CID 43701560

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-methyltetrazol-1-yl)phenyl]quinoxaline-6-carboxamide?
The IUPAC name of N-[3-(5-methyltetrazol-1-yl)phenyl]quinoxaline-6-carboxamide (CID 131894718) is N-[3-(5-methyltetrazol-1-yl)phenyl]quinoxaline-6-carboxamide.
What is the SMILES notation for N-[3-(5-methyltetrazol-1-yl)phenyl]quinoxaline-6-carboxamide?
The canonical SMILES for N-[3-(5-methyltetrazol-1-yl)phenyl]quinoxaline-6-carboxamide is Cc1nnnn1-c1cccc(NC(=O)c2ccc3nccnc3c2)c1.
What is the InChIKey of N-[3-(5-methyltetrazol-1-yl)phenyl]quinoxaline-6-carboxamide?
The InChIKey is SKEAIPGEBLNBBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N7O/c1-11-21-22-23-24(11)14-4-2-3-13(10-14)20-17(25)12-5-6-15-16(9-12)19-8-7-18-15/h2-10H,1H3,(H,20,25).
What are the key properties of N-[3-(5-methyltetrazol-1-yl)phenyl]quinoxaline-6-carboxamide?
N-[3-(5-methyltetrazol-1-yl)phenyl]quinoxaline-6-carboxamide has a molecular weight of 331.34 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-methyltetrazol-1-yl)phenyl]quinoxaline-6-carboxamide is sourced from PubChem (CID 131894718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).