2-phenyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclopropane-1-carboxamide

C17H15N5O — CID 91800746

IUPAC2-phenyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclopropane-1-carboxamide
SMILESO=C(Nc1n[nH]c(-c2ccccn2)n1)C1CC1c1ccccc1
InChIInChI=1S/C17H15N5O/c23-16(13-10-12(13)11-6-2-1-3-7-11)20-17-19-15(21-22-17)14-8-4-5-9-18-14/h1-9,12-13H,10H2,(H2,19,20,21,22,23)
InChIKeyXTNVYLRFOPCJMS-UHFFFAOYSA-N
MW305.34 g/mol
LogP2.61
Rot. Bonds4

About 2-phenyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclopropane-1-carboxamide

2-phenyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclopropane-1-carboxamide (PubChem CID 91800746) has the molecular formula C17H15N5O and a molecular weight of 305.34 g/mol. Its IUPAC name is 2-phenyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-phenyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclopropane-1-carboxamide
PubChem CID91800746
Molecular FormulaC17H15N5O
Molecular Weight305.34 g/mol
Exact Mass305.13
IUPAC Name2-phenyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclopropane-1-carboxamide
SMILESO=C(Nc1n[nH]c(-c2ccccn2)n1)C1CC1c1ccccc1
InChIInChI=1S/C17H15N5O/c23-16(13-10-12(13)11-6-2-1-3-7-11)20-17-19-15(21-22-17)14-8-4-5-9-18-14/h1-9,12-13H,10H2,(H2,19,20,21,22,23)
InChIKeyXTNVYLRFOPCJMS-UHFFFAOYSA-N
XLogP2.61
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclopropane-1-carboxamide?
The IUPAC name of 2-phenyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclopropane-1-carboxamide (CID 91800746) is 2-phenyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 2-phenyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 2-phenyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclopropane-1-carboxamide is O=C(Nc1n[nH]c(-c2ccccn2)n1)C1CC1c1ccccc1.
What is the InChIKey of 2-phenyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclopropane-1-carboxamide?
The InChIKey is XTNVYLRFOPCJMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O/c23-16(13-10-12(13)11-6-2-1-3-7-11)20-17-19-15(21-22-17)14-8-4-5-9-18-14/h1-9,12-13H,10H2,(H2,19,20,21,22,23).
What are the key properties of 2-phenyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclopropane-1-carboxamide?
2-phenyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclopropane-1-carboxamide has a molecular weight of 305.34 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 91800746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).