N-[3-(cyclopropylcarbamoyl)phenyl]-2-phenyltriazole-4-carboxamide

C19H17N5O2 — CID 9465614

IUPACN-[3-(cyclopropylcarbamoyl)phenyl]-2-phenyltriazole-4-carboxamide
SMILESO=C(NC1CC1)c1cccc(NC(=O)c2cnn(-c3ccccc3)n2)c1
InChIInChI=1S/C19H17N5O2/c25-18(21-14-9-10-14)13-5-4-6-15(11-13)22-19(26)17-12-20-24(23-17)16-7-2-1-3-8-16/h1-8,11-12,14H,9-10H2,(H,21,25)(H,22,26)
InChIKeyMAGBXXJCMWNNNX-UHFFFAOYSA-N
MW347.38 g/mol
LogP2.41
Rot. Bonds5

About N-[3-(cyclopropylcarbamoyl)phenyl]-2-phenyltriazole-4-carboxamide

N-[3-(cyclopropylcarbamoyl)phenyl]-2-phenyltriazole-4-carboxamide (PubChem CID 9465614) has the molecular formula C19H17N5O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is N-[3-(cyclopropylcarbamoyl)phenyl]-2-phenyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(cyclopropylcarbamoyl)phenyl]-2-phenyltriazole-4-carboxamide
PubChem CID9465614
Molecular FormulaC19H17N5O2
Molecular Weight347.38 g/mol
Exact Mass347.14
IUPAC NameN-[3-(cyclopropylcarbamoyl)phenyl]-2-phenyltriazole-4-carboxamide
SMILESO=C(NC1CC1)c1cccc(NC(=O)c2cnn(-c3ccccc3)n2)c1
InChIInChI=1S/C19H17N5O2/c25-18(21-14-9-10-14)13-5-4-6-15(11-13)22-19(26)17-12-20-24(23-17)16-7-2-1-3-8-16/h1-8,11-12,14H,9-10H2,(H,21,25)(H,22,26)
InChIKeyMAGBXXJCMWNNNX-UHFFFAOYSA-N
XLogP2.41
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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{[(2,6-difluorophenyl)carbonyl]amino}-N-piperidin-4-yl-1H-pyrazole-3-carboxamide
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CID 24971321
Cdkl5/gsk3-IN-1
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(2-Aminophenyl)-[1-(3-ethylphenyl)triazol-4-yl]methanone
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N-[(2S)-1-[(1-cyanocyclopropyl)amino]-3-(2-cyanophenyl)-1-oxopropan-2-yl]-2-(4-fluorophenyl)triazole-4-carboxamide
CID 129178852
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CID 135285646

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropylcarbamoyl)phenyl]-2-phenyltriazole-4-carboxamide?
The IUPAC name of N-[3-(cyclopropylcarbamoyl)phenyl]-2-phenyltriazole-4-carboxamide (CID 9465614) is N-[3-(cyclopropylcarbamoyl)phenyl]-2-phenyltriazole-4-carboxamide.
What is the SMILES notation for N-[3-(cyclopropylcarbamoyl)phenyl]-2-phenyltriazole-4-carboxamide?
The canonical SMILES for N-[3-(cyclopropylcarbamoyl)phenyl]-2-phenyltriazole-4-carboxamide is O=C(NC1CC1)c1cccc(NC(=O)c2cnn(-c3ccccc3)n2)c1.
What is the InChIKey of N-[3-(cyclopropylcarbamoyl)phenyl]-2-phenyltriazole-4-carboxamide?
The InChIKey is MAGBXXJCMWNNNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2/c25-18(21-14-9-10-14)13-5-4-6-15(11-13)22-19(26)17-12-20-24(23-17)16-7-2-1-3-8-16/h1-8,11-12,14H,9-10H2,(H,21,25)(H,22,26).
What are the key properties of N-[3-(cyclopropylcarbamoyl)phenyl]-2-phenyltriazole-4-carboxamide?
N-[3-(cyclopropylcarbamoyl)phenyl]-2-phenyltriazole-4-carboxamide has a molecular weight of 347.38 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropylcarbamoyl)phenyl]-2-phenyltriazole-4-carboxamide is sourced from PubChem (CID 9465614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).