N-(7-fluoroquinolin-3-yl)-2H-triazole-4-carboxamide

C12H8FN5O — CID 122185526

IUPACN-(7-fluoroquinolin-3-yl)-2H-triazole-4-carboxamide
SMILESO=C(Nc1cnc2cc(F)ccc2c1)c1cn[nH]n1
InChIInChI=1S/C12H8FN5O/c13-8-2-1-7-3-9(5-14-10(7)4-8)16-12(19)11-6-15-18-17-11/h1-6H,(H,16,19)(H,15,17,18)
InChIKeyDWBUWDYUERPYSN-UHFFFAOYSA-N
MW257.23 g/mol
LogP1.74
Rot. Bonds2

About N-(7-fluoroquinolin-3-yl)-2H-triazole-4-carboxamide

N-(7-fluoroquinolin-3-yl)-2H-triazole-4-carboxamide (PubChem CID 122185526) has the molecular formula C12H8FN5O and a molecular weight of 257.23 g/mol. Its IUPAC name is N-(7-fluoroquinolin-3-yl)-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-(7-fluoroquinolin-3-yl)-2H-triazole-4-carboxamide
PubChem CID122185526
Molecular FormulaC12H8FN5O
Molecular Weight257.23 g/mol
Exact Mass257.07
IUPAC NameN-(7-fluoroquinolin-3-yl)-2H-triazole-4-carboxamide
SMILESO=C(Nc1cnc2cc(F)ccc2c1)c1cn[nH]n1
InChIInChI=1S/C12H8FN5O/c13-8-2-1-7-3-9(5-14-10(7)4-8)16-12(19)11-6-15-18-17-11/h1-6H,(H,16,19)(H,15,17,18)
InChIKeyDWBUWDYUERPYSN-UHFFFAOYSA-N
XLogP1.74
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.23
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-phenylethyl)quinoxaline-2-carboxamide
CID 5300647
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
Pyrazole-3-carboxylic acid quinolin-3-ylamide
CID 11651620
1h-Pyrazole-3-carboxamide,n-6-quinolinyl-
CID 11651622
N-(6-fluoroquinolin-8-yl)-5-methylpyrazine-2-carboxamide
CID 124087854
N-(6-fluoroquinolin-8-yl)pyrazine-2-carboxamide
CID 124087855
1-Phenethyl-1H-[1,2,3]triazole-4-carboxylic acid (pyridin-2-ylmethyl)-amide
CID 644529

Frequently Asked Questions

What is the IUPAC name of N-(7-fluoroquinolin-3-yl)-2H-triazole-4-carboxamide?
The IUPAC name of N-(7-fluoroquinolin-3-yl)-2H-triazole-4-carboxamide (CID 122185526) is N-(7-fluoroquinolin-3-yl)-2H-triazole-4-carboxamide.
What is the SMILES notation for N-(7-fluoroquinolin-3-yl)-2H-triazole-4-carboxamide?
The canonical SMILES for N-(7-fluoroquinolin-3-yl)-2H-triazole-4-carboxamide is O=C(Nc1cnc2cc(F)ccc2c1)c1cn[nH]n1.
What is the InChIKey of N-(7-fluoroquinolin-3-yl)-2H-triazole-4-carboxamide?
The InChIKey is DWBUWDYUERPYSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FN5O/c13-8-2-1-7-3-9(5-14-10(7)4-8)16-12(19)11-6-15-18-17-11/h1-6H,(H,16,19)(H,15,17,18).
What are the key properties of N-(7-fluoroquinolin-3-yl)-2H-triazole-4-carboxamide?
N-(7-fluoroquinolin-3-yl)-2H-triazole-4-carboxamide has a molecular weight of 257.23 g/mol, XLogP of 1.74, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-fluoroquinolin-3-yl)-2H-triazole-4-carboxamide is sourced from PubChem (CID 122185526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).