N-cyclopropyl-1-[4-(ethylcarbamoyl)phenyl]triazole-4-carboxamide

C15H17N5O2 — CID 68514420

IUPACN-cyclopropyl-1-[4-(ethylcarbamoyl)phenyl]triazole-4-carboxamide
SMILESCCNC(=O)c1ccc(-n2cc(C(=O)NC3CC3)nn2)cc1
InChIInChI=1S/C15H17N5O2/c1-2-16-14(21)10-3-7-12(8-4-10)20-9-13(18-19-20)15(22)17-11-5-6-11/h3-4,7-9,11H,2,5-6H2,1H3,(H,16,21)(H,17,22)
InChIKeyFZMFWTFDMDRSBI-UHFFFAOYSA-N
MW299.33 g/mol
LogP0.91
Rot. Bonds5

About N-cyclopropyl-1-[4-(ethylcarbamoyl)phenyl]triazole-4-carboxamide

N-cyclopropyl-1-[4-(ethylcarbamoyl)phenyl]triazole-4-carboxamide (PubChem CID 68514420) has the molecular formula C15H17N5O2 and a molecular weight of 299.33 g/mol. Its IUPAC name is N-cyclopropyl-1-[4-(ethylcarbamoyl)phenyl]triazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-[4-(ethylcarbamoyl)phenyl]triazole-4-carboxamide
PubChem CID68514420
Molecular FormulaC15H17N5O2
Molecular Weight299.33 g/mol
Exact Mass299.14
IUPAC NameN-cyclopropyl-1-[4-(ethylcarbamoyl)phenyl]triazole-4-carboxamide
SMILESCCNC(=O)c1ccc(-n2cc(C(=O)NC3CC3)nn2)cc1
InChIInChI=1S/C15H17N5O2/c1-2-16-14(21)10-3-7-12(8-4-10)20-9-13(18-19-20)15(22)17-11-5-6-11/h3-4,7-9,11H,2,5-6H2,1H3,(H,16,21)(H,17,22)
InChIKeyFZMFWTFDMDRSBI-UHFFFAOYSA-N
XLogP0.91
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-[4-(ethylcarbamoyl)phenyl]triazole-4-carboxamide?
The IUPAC name of N-cyclopropyl-1-[4-(ethylcarbamoyl)phenyl]triazole-4-carboxamide (CID 68514420) is N-cyclopropyl-1-[4-(ethylcarbamoyl)phenyl]triazole-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-[4-(ethylcarbamoyl)phenyl]triazole-4-carboxamide?
The canonical SMILES for N-cyclopropyl-1-[4-(ethylcarbamoyl)phenyl]triazole-4-carboxamide is CCNC(=O)c1ccc(-n2cc(C(=O)NC3CC3)nn2)cc1.
What is the InChIKey of N-cyclopropyl-1-[4-(ethylcarbamoyl)phenyl]triazole-4-carboxamide?
The InChIKey is FZMFWTFDMDRSBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2/c1-2-16-14(21)10-3-7-12(8-4-10)20-9-13(18-19-20)15(22)17-11-5-6-11/h3-4,7-9,11H,2,5-6H2,1H3,(H,16,21)(H,17,22).
What are the key properties of N-cyclopropyl-1-[4-(ethylcarbamoyl)phenyl]triazole-4-carboxamide?
N-cyclopropyl-1-[4-(ethylcarbamoyl)phenyl]triazole-4-carboxamide has a molecular weight of 299.33 g/mol, XLogP of 0.91, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-[4-(ethylcarbamoyl)phenyl]triazole-4-carboxamide is sourced from PubChem (CID 68514420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).