N-quinolin-3-yl-2H-triazole-4-carboxamide

C12H9N5O — CID 16663120

IUPACN-quinolin-3-yl-2H-triazole-4-carboxamide
SMILESO=C(Nc1cnc2ccccc2c1)c1cn[nH]n1
InChIInChI=1S/C12H9N5O/c18-12(11-7-14-17-16-11)15-9-5-8-3-1-2-4-10(8)13-6-9/h1-7H,(H,15,18)(H,14,16,17)
InChIKeyPWNCSLAWOZKBHQ-UHFFFAOYSA-N
MW239.24 g/mol
LogP1.61
Rot. Bonds2

About N-quinolin-3-yl-2H-triazole-4-carboxamide

N-quinolin-3-yl-2H-triazole-4-carboxamide (PubChem CID 16663120) has the molecular formula C12H9N5O and a molecular weight of 239.24 g/mol. Its IUPAC name is N-quinolin-3-yl-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-quinolin-3-yl-2H-triazole-4-carboxamide
PubChem CID16663120
Molecular FormulaC12H9N5O
Molecular Weight239.24 g/mol
Exact Mass239.08
IUPAC NameN-quinolin-3-yl-2H-triazole-4-carboxamide
SMILESO=C(Nc1cnc2ccccc2c1)c1cn[nH]n1
InChIInChI=1S/C12H9N5O/c18-12(11-7-14-17-16-11)15-9-5-8-3-1-2-4-10(8)13-6-9/h1-7H,(H,15,18)(H,14,16,17)
InChIKeyPWNCSLAWOZKBHQ-UHFFFAOYSA-N
XLogP1.61
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-phenylethyl)quinoxaline-2-carboxamide
CID 5300647
N-(3-pyridinylmethyl)-2-quinoxalinecarboxamide
CID 2738421
1-[1-(4-methylphenyl)ethyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide
CID 6483911
N-[1-(4-fluorobenzyl)-1H-pyrazol-4-yl]pyrazine-2-carboxamide
CID 3245050
5-Methyl-N-(quinolin-8-yl)pyrazine-2-carboxamide
CID 647549
5-Methyl-pyrazine-2-carboxylic acid quinolin-5-ylamide
CID 653308
N-quinolin-3-ylpyridine-3-carboxamide
CID 5043098
N-(quinolin-8-yl)pyrazine-2-carboxamide
CID 9463163
N-(alpha,alpha-Dimethylphenethyl)-2-quinoxalinecarboxamide
CID 9948445
Pyrazole-3-carboxylic acid quinolin-3-ylamide
CID 11651620
1h-Pyrazole-3-carboxamide,n-6-quinolinyl-
CID 11651622
N-(5-Methyl-1-quinolin-5-yl-1H-pyrazole-4-carbonyl)-guanidine
CID 22267755

Frequently Asked Questions

What is the IUPAC name of N-quinolin-3-yl-2H-triazole-4-carboxamide?
The IUPAC name of N-quinolin-3-yl-2H-triazole-4-carboxamide (CID 16663120) is N-quinolin-3-yl-2H-triazole-4-carboxamide.
What is the SMILES notation for N-quinolin-3-yl-2H-triazole-4-carboxamide?
The canonical SMILES for N-quinolin-3-yl-2H-triazole-4-carboxamide is O=C(Nc1cnc2ccccc2c1)c1cn[nH]n1.
What is the InChIKey of N-quinolin-3-yl-2H-triazole-4-carboxamide?
The InChIKey is PWNCSLAWOZKBHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N5O/c18-12(11-7-14-17-16-11)15-9-5-8-3-1-2-4-10(8)13-6-9/h1-7H,(H,15,18)(H,14,16,17).
What are the key properties of N-quinolin-3-yl-2H-triazole-4-carboxamide?
N-quinolin-3-yl-2H-triazole-4-carboxamide has a molecular weight of 239.24 g/mol, XLogP of 1.61, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-quinolin-3-yl-2H-triazole-4-carboxamide is sourced from PubChem (CID 16663120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).