5-amino-N-benzyl-1-phenyltriazole-4-carboxamide

C16H15N5O — CID 17015753

IUPAC5-amino-N-benzyl-1-phenyltriazole-4-carboxamide
SMILESNc1c(C(=O)NCc2ccccc2)nnn1-c1ccccc1
InChIInChI=1S/C16H15N5O/c17-15-14(16(22)18-11-12-7-3-1-4-8-12)19-20-21(15)13-9-5-2-6-10-13/h1-10H,11,17H2,(H,18,22)
InChIKeyKIDRBCIRDJDFME-UHFFFAOYSA-N
MW293.33 g/mol
LogP1.78
Rot. Bonds4

About 5-amino-N-benzyl-1-phenyltriazole-4-carboxamide

5-amino-N-benzyl-1-phenyltriazole-4-carboxamide (PubChem CID 17015753) has the molecular formula C16H15N5O and a molecular weight of 293.33 g/mol. Its IUPAC name is 5-amino-N-benzyl-1-phenyltriazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-benzyl-1-phenyltriazole-4-carboxamide
PubChem CID17015753
Molecular FormulaC16H15N5O
Molecular Weight293.33 g/mol
Exact Mass293.13
IUPAC Name5-amino-N-benzyl-1-phenyltriazole-4-carboxamide
SMILESNc1c(C(=O)NCc2ccccc2)nnn1-c1ccccc1
InChIInChI=1S/C16H15N5O/c17-15-14(16(22)18-11-12-7-3-1-4-8-12)19-20-21(15)13-9-5-2-6-10-13/h1-10H,11,17H2,(H,18,22)
InChIKeyKIDRBCIRDJDFME-UHFFFAOYSA-N
XLogP1.78
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-N-benzyl-1-(3-methylphenyl)triazole-4-carboxamide
CID 3238804
5-amino-N-benzyl-1-(2-methylphenyl)triazole-4-carboxamide
CID 17015755
5-amino-N-benzyl-1-methyltriazole-4-carboxamide
CID 1499694
N-benzyl-4-oxo-1-phenylcinnoline-3-carboxamide
CID 53169748
5-amino-1-(2-anilino-2-oxoethyl)-N-benzyltriazole-4-carboxamide
CID 6619515
5-amino-N-[(4-chlorophenyl)methyl]-1-(4-ethoxyphenyl)triazole-4-carboxamide
CID 17014891
5-amino-N-cyclohexyl-1-phenyltriazole-4-carboxamide
CID 6498288
5-amino-N-benzyl-1-[(2-methylphenyl)methyl]triazole-4-carboxamide
CID 20862522
5-amino-N-[(3-methoxyphenyl)methyl]-1-[4-(trifluoromethoxy)phenyl]triazole-4-carboxamide
CID 4081975
5-amino-1-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)triazole-4-carboxamide
CID 6498277
5-amino-1-(4-bromophenyl)-N-(furan-2-ylmethyl)triazole-4-carboxamide
CID 17015687
5-amino-1-phenyl-N-(4-propan-2-ylphenyl)triazole-4-carboxamide
CID 27260956

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-benzyl-1-phenyltriazole-4-carboxamide?
The IUPAC name of 5-amino-N-benzyl-1-phenyltriazole-4-carboxamide (CID 17015753) is 5-amino-N-benzyl-1-phenyltriazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-benzyl-1-phenyltriazole-4-carboxamide?
The canonical SMILES for 5-amino-N-benzyl-1-phenyltriazole-4-carboxamide is Nc1c(C(=O)NCc2ccccc2)nnn1-c1ccccc1.
What is the InChIKey of 5-amino-N-benzyl-1-phenyltriazole-4-carboxamide?
The InChIKey is KIDRBCIRDJDFME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O/c17-15-14(16(22)18-11-12-7-3-1-4-8-12)19-20-21(15)13-9-5-2-6-10-13/h1-10H,11,17H2,(H,18,22).
What are the key properties of 5-amino-N-benzyl-1-phenyltriazole-4-carboxamide?
5-amino-N-benzyl-1-phenyltriazole-4-carboxamide has a molecular weight of 293.33 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-benzyl-1-phenyltriazole-4-carboxamide is sourced from PubChem (CID 17015753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).