2-[[2-(triazol-1-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid

C13H12N4O3 — CID 60941818

IUPAC2-[[2-(triazol-1-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1C(=O)Nc1ccccc1-n1ccnn1
InChIInChI=1S/C13H12N4O3/c18-12(8-7-9(8)13(19)20)15-10-3-1-2-4-11(10)17-6-5-14-16-17/h1-6,8-9H,7H2,(H,15,18)(H,19,20)
InChIKeyACIDGNLEIHSAAN-UHFFFAOYSA-N
MW272.26 g/mol
LogP0.93
Rot. Bonds4

About 2-[[2-(triazol-1-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid

2-[[2-(triazol-1-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 60941818) has the molecular formula C13H12N4O3 and a molecular weight of 272.26 g/mol. Its IUPAC name is 2-[[2-(triazol-1-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[2-(triazol-1-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
PubChem CID60941818
Molecular FormulaC13H12N4O3
Molecular Weight272.26 g/mol
Exact Mass272.09
IUPAC Name2-[[2-(triazol-1-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1C(=O)Nc1ccccc1-n1ccnn1
InChIInChI=1S/C13H12N4O3/c18-12(8-7-9(8)13(19)20)15-10-3-1-2-4-11(10)17-6-5-14-16-17/h1-6,8-9H,7H2,(H,15,18)(H,19,20)
InChIKeyACIDGNLEIHSAAN-UHFFFAOYSA-N
XLogP0.93
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(triazol-1-yl)phenyl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 112835261
trans-(1R,2R)-2-[[2-(5-methylpyrazol-1-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 146141589
N-[2-(triazol-1-yl)phenyl]pyridazine-4-carboxamide
CID 75448348
2,2,3,3-tetrafluoro-N-[2-(triazol-1-yl)phenyl]propanamide
CID 103737699
N-[2-(triazol-1-yl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxamide
CID 75472912
(2R)-2-amino-N-[2-(triazol-1-yl)phenyl]propanamide
CID 54991404
N-[2-(triazol-1-yl)phenyl]but-2-enamide
CID 112729497
2-[(2-pyrrolidin-1-ylphenyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120974434
N-[3-oxo-3-[2-(triazol-1-yl)anilino]propyl]cyclobutanecarboxamide
CID 86783518
3-chloro-2,2-dimethyl-N-[2-(triazol-1-yl)phenyl]propanamide
CID 63678665
(2S)-2-amino-N-[2-(triazol-1-yl)phenyl]butanamide
CID 79025471
2-bromo-N-[2-(triazol-1-yl)phenyl]furan-3-carboxamide
CID 106853061

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(triazol-1-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[[2-(triazol-1-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid (CID 60941818) is 2-[[2-(triazol-1-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[[2-(triazol-1-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[[2-(triazol-1-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid is O=C(O)C1CC1C(=O)Nc1ccccc1-n1ccnn1.
What is the InChIKey of 2-[[2-(triazol-1-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is ACIDGNLEIHSAAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O3/c18-12(8-7-9(8)13(19)20)15-10-3-1-2-4-11(10)17-6-5-14-16-17/h1-6,8-9H,7H2,(H,15,18)(H,19,20).
What are the key properties of 2-[[2-(triazol-1-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid?
2-[[2-(triazol-1-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 272.26 g/mol, XLogP of 0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(triazol-1-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 60941818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).