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

C14H14N4O3 — CID 60934454

IUPAC2-[[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
SMILESCc1nc(-c2cccc(NC(=O)C3CC3C(=O)O)c2)n[nH]1
InChIInChI=1S/C14H14N4O3/c1-7-15-12(18-17-7)8-3-2-4-9(5-8)16-13(19)10-6-11(10)14(20)21/h2-5,10-11H,6H2,1H3,(H,16,19)(H,20,21)(H,15,17,18)
InChIKeyXZWRVXORVYNEBM-UHFFFAOYSA-N
MW286.29 g/mol
LogP1.44
Rot. Bonds4

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

2-[[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 60934454) has the molecular formula C14H14N4O3 and a molecular weight of 286.29 g/mol. Its IUPAC name is 2-[[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
PubChem CID60934454
Molecular FormulaC14H14N4O3
Molecular Weight286.29 g/mol
Exact Mass286.11
IUPAC Name2-[[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
SMILESCc1nc(-c2cccc(NC(=O)C3CC3C(=O)O)c2)n[nH]1
InChIInChI=1S/C14H14N4O3/c1-7-15-12(18-17-7)8-3-2-4-9(5-8)16-13(19)10-6-11(10)14(20)21/h2-5,10-11H,6H2,1H3,(H,16,19)(H,20,21)(H,15,17,18)
InChIKeyXZWRVXORVYNEBM-UHFFFAOYSA-N
XLogP1.44
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 60941008
3-methyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]pyrrolidine-2-carboxamide
CID 102778390
2-[[3-(2H-tetrazol-5-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 60941735
N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]cyclohex-3-ene-1-carboxamide
CID 131909357
2-[[3-(2-methylpyrimidin-4-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 119180289
2-[[3-(4-methyl-1,3-oxazol-2-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 120550999
2-(cyclopropylamino)-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide
CID 60928278
2-(methylamino)-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide
CID 60928275
cis-(1S,2R)-2-[[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 166288343
2-methoxy-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide
CID 60911506
3-amino-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]propanamide
CID 54862643
2-cyano-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide
CID 168520871

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid (CID 60934454) is 2-[[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid is Cc1nc(-c2cccc(NC(=O)C3CC3C(=O)O)c2)n[nH]1.
What is the InChIKey of 2-[[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is XZWRVXORVYNEBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O3/c1-7-15-12(18-17-7)8-3-2-4-9(5-8)16-13(19)10-6-11(10)14(20)21/h2-5,10-11H,6H2,1H3,(H,16,19)(H,20,21)(H,15,17,18).
What are the key properties of 2-[[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid?
2-[[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 286.29 g/mol, XLogP of 1.44, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 60934454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).