N-[(1,5-dimethylpyrrol-2-yl)methyl]-1-phenyltriazole-4-carboxamide

C16H17N5O — CID 46407569

IUPACN-[(1,5-dimethylpyrrol-2-yl)methyl]-1-phenyltriazole-4-carboxamide
SMILESCc1ccc(CNC(=O)c2cn(-c3ccccc3)nn2)n1C
InChIInChI=1S/C16H17N5O/c1-12-8-9-14(20(12)2)10-17-16(22)15-11-21(19-18-15)13-6-4-3-5-7-13/h3-9,11H,10H2,1-2H3,(H,17,22)
InChIKeyAISKHAWYBMCZJA-UHFFFAOYSA-N
MW295.35 g/mol
LogP1.84
Rot. Bonds4

About N-[(1,5-dimethylpyrrol-2-yl)methyl]-1-phenyltriazole-4-carboxamide

N-[(1,5-dimethylpyrrol-2-yl)methyl]-1-phenyltriazole-4-carboxamide (PubChem CID 46407569) has the molecular formula C16H17N5O and a molecular weight of 295.35 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrrol-2-yl)methyl]-1-phenyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrrol-2-yl)methyl]-1-phenyltriazole-4-carboxamide
PubChem CID46407569
Molecular FormulaC16H17N5O
Molecular Weight295.35 g/mol
Exact Mass295.14
IUPAC NameN-[(1,5-dimethylpyrrol-2-yl)methyl]-1-phenyltriazole-4-carboxamide
SMILESCc1ccc(CNC(=O)c2cn(-c3ccccc3)nn2)n1C
InChIInChI=1S/C16H17N5O/c1-12-8-9-14(20(12)2)10-17-16(22)15-11-21(19-18-15)13-6-4-3-5-7-13/h3-9,11H,10H2,1-2H3,(H,17,22)
InChIKeyAISKHAWYBMCZJA-UHFFFAOYSA-N
XLogP1.84
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1,5-dimethylpyrrol-2-yl)methyl]-4-(2-oxo-2-phenylacetyl)benzamide
CID 4786534
N-benzyl-1-(4-methoxyphenyl)triazole-4-carboxamide
CID 13413916
methyl 2-[(1-phenyltriazole-4-carbonyl)amino]acetate
CID 43066587
N-(2-amino-2-methylpropyl)-1-phenyltriazole-4-carboxamide;hydrochloride
CID 119627298
N-(4-hydroxybutyl)-1-phenyltriazole-4-carboxamide
CID 106843500
6-[(1-phenyltriazole-4-carbonyl)amino]hexanoic acid
CID 119220200
N-(2,3-dihydroxy-2-methylpropyl)-1-phenyltriazole-4-carboxamide
CID 66169267
N-[(1,5-dimethylpyrrol-2-yl)methyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 31218833
N-[(2,3-dimethoxyphenyl)methyl]-1-phenyltriazole-4-carboxamide
CID 46546722
N-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)triazole-4-carboxamide
CID 38957071
1-(4-ethylphenyl)-N-[(4-ethylphenyl)methyl]triazole-4-carboxamide
CID 53332726
N-[[4-(diethylsulfamoyl)phenyl]methyl]-1-phenyltriazole-4-carboxamide
CID 46422654

Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrrol-2-yl)methyl]-1-phenyltriazole-4-carboxamide?
The IUPAC name of N-[(1,5-dimethylpyrrol-2-yl)methyl]-1-phenyltriazole-4-carboxamide (CID 46407569) is N-[(1,5-dimethylpyrrol-2-yl)methyl]-1-phenyltriazole-4-carboxamide.
What is the SMILES notation for N-[(1,5-dimethylpyrrol-2-yl)methyl]-1-phenyltriazole-4-carboxamide?
The canonical SMILES for N-[(1,5-dimethylpyrrol-2-yl)methyl]-1-phenyltriazole-4-carboxamide is Cc1ccc(CNC(=O)c2cn(-c3ccccc3)nn2)n1C.
What is the InChIKey of N-[(1,5-dimethylpyrrol-2-yl)methyl]-1-phenyltriazole-4-carboxamide?
The InChIKey is AISKHAWYBMCZJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O/c1-12-8-9-14(20(12)2)10-17-16(22)15-11-21(19-18-15)13-6-4-3-5-7-13/h3-9,11H,10H2,1-2H3,(H,17,22).
What are the key properties of N-[(1,5-dimethylpyrrol-2-yl)methyl]-1-phenyltriazole-4-carboxamide?
N-[(1,5-dimethylpyrrol-2-yl)methyl]-1-phenyltriazole-4-carboxamide has a molecular weight of 295.35 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylpyrrol-2-yl)methyl]-1-phenyltriazole-4-carboxamide is sourced from PubChem (CID 46407569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).