5-[[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]carbamoyl]pyrazine-2-carboxylic acid

C17H14N6O3 — CID 167925038

IUPAC5-[[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]carbamoyl]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(C(=O)Nc2cccc(-c3n[nH]c(C4CC4)n3)c2)cn1
InChIInChI=1S/C17H14N6O3/c24-16(12-7-19-13(8-18-12)17(25)26)20-11-3-1-2-10(6-11)15-21-14(22-23-15)9-4-5-9/h1-3,6-9H,4-5H2,(H,20,24)(H,25,26)(H,21,22,23)
InChIKeyXGPAMNMOKRSZSM-UHFFFAOYSA-N
MW350.34 g/mol
LogP2.09
Rot. Bonds5

About 5-[[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]carbamoyl]pyrazine-2-carboxylic acid

5-[[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]carbamoyl]pyrazine-2-carboxylic acid (PubChem CID 167925038) has the molecular formula C17H14N6O3 and a molecular weight of 350.34 g/mol. Its IUPAC name is 5-[[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]carbamoyl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]carbamoyl]pyrazine-2-carboxylic acid
PubChem CID167925038
Molecular FormulaC17H14N6O3
Molecular Weight350.34 g/mol
Exact Mass350.11
IUPAC Name5-[[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]carbamoyl]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(C(=O)Nc2cccc(-c3n[nH]c(C4CC4)n3)c2)cn1
InChIInChI=1S/C17H14N6O3/c24-16(12-7-19-13(8-18-12)17(25)26)20-11-3-1-2-10(6-11)15-21-14(22-23-15)9-4-5-9/h1-3,6-9H,4-5H2,(H,20,24)(H,25,26)(H,21,22,23)
InChIKeyXGPAMNMOKRSZSM-UHFFFAOYSA-N
XLogP2.09
TPSA133.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.34
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119763582
N-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-N'-[(2S)-3-methylbutan-2-yl]oxamide
CID 95773539
1-amino-N-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119311925
N-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-4-(methylamino)butanamide
CID 119763580
(2R,6R)-N-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-2,6-dimethylmorpholine-4-carboxamide
CID 95571034
(Z)-N-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-3-(1,3-thiazol-2-yl)prop-2-enamide
CID 97464271
N-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]morpholine-3-carboxamide;hydrochloride
CID 119763577
9-amino-N-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120988682
N-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119763609
N-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide
CID 86882469
N-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)acetamide;2,2,2-trifluoroacetic acid
CID 166210867
4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-N-[3-(oxan-4-ylsulfinylmethyl)phenyl]benzamide
CID 146148796

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]carbamoyl]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]carbamoyl]pyrazine-2-carboxylic acid (CID 167925038) is 5-[[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]carbamoyl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]carbamoyl]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]carbamoyl]pyrazine-2-carboxylic acid is O=C(O)c1cnc(C(=O)Nc2cccc(-c3n[nH]c(C4CC4)n3)c2)cn1.
What is the InChIKey of 5-[[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]carbamoyl]pyrazine-2-carboxylic acid?
The InChIKey is XGPAMNMOKRSZSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6O3/c24-16(12-7-19-13(8-18-12)17(25)26)20-11-3-1-2-10(6-11)15-21-14(22-23-15)9-4-5-9/h1-3,6-9H,4-5H2,(H,20,24)(H,25,26)(H,21,22,23).
What are the key properties of 5-[[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]carbamoyl]pyrazine-2-carboxylic acid?
5-[[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]carbamoyl]pyrazine-2-carboxylic acid has a molecular weight of 350.34 g/mol, XLogP of 2.09, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]carbamoyl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 167925038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).