5-amino-N-benzyl-1-(3-methylphenyl)triazole-4-carboxamide

C17H17N5O — CID 3238804

IUPAC5-amino-N-benzyl-1-(3-methylphenyl)triazole-4-carboxamide
SMILESCc1cccc(-n2nnc(C(=O)NCc3ccccc3)c2N)c1
InChIInChI=1S/C17H17N5O/c1-12-6-5-9-14(10-12)22-16(18)15(20-21-22)17(23)19-11-13-7-3-2-4-8-13/h2-10H,11,18H2,1H3,(H,19,23)
InChIKeyYDLRVMKJYKWIHB-UHFFFAOYSA-N
MW307.36 g/mol
LogP2.09
Rot. Bonds4

About 5-amino-N-benzyl-1-(3-methylphenyl)triazole-4-carboxamide

5-amino-N-benzyl-1-(3-methylphenyl)triazole-4-carboxamide (PubChem CID 3238804) has the molecular formula C17H17N5O and a molecular weight of 307.36 g/mol. Its IUPAC name is 5-amino-N-benzyl-1-(3-methylphenyl)triazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-benzyl-1-(3-methylphenyl)triazole-4-carboxamide
PubChem CID3238804
Molecular FormulaC17H17N5O
Molecular Weight307.36 g/mol
Exact Mass307.14
IUPAC Name5-amino-N-benzyl-1-(3-methylphenyl)triazole-4-carboxamide
SMILESCc1cccc(-n2nnc(C(=O)NCc3ccccc3)c2N)c1
InChIInChI=1S/C17H17N5O/c1-12-6-5-9-14(10-12)22-16(18)15(20-21-22)17(23)19-11-13-7-3-2-4-8-13/h2-10H,11,18H2,1H3,(H,19,23)
InChIKeyYDLRVMKJYKWIHB-UHFFFAOYSA-N
XLogP2.09
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-N-benzyl-1-phenyltriazole-4-carboxamide
CID 17015753
5-amino-N-benzyl-1-(2-methylphenyl)triazole-4-carboxamide
CID 17015755
methyl 5-amino-1-(3-methylphenyl)triazole-4-carboxylate
CID 4912897
5-amino-1-(3-methylphenyl)-N-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 17015713
5-amino-N-(2-fluorophenyl)-1-(3-methylphenyl)triazole-4-carboxamide
CID 4546892
5-amino-N-benzyl-1-methyltriazole-4-carboxamide
CID 1499694
5-amino-N-(2,3-dimethylphenyl)-1-(3-methylphenyl)triazole-4-carboxamide
CID 27262034
5-amino-N-cyclopentyl-1-(3-methylphenyl)triazole-4-carboxamide
CID 4102161
5-amino-1-(3,5-dimethylphenyl)-N-(furan-2-ylmethyl)triazole-4-carboxamide
CID 3245543
5-methyl-1-(3-methylphenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]triazole-4-carboxamide
CID 55856668
5-amino-1-(3-chlorophenyl)-N-[(2S)-2-phenylpropyl]triazole-4-carboxamide
CID 41118456
5-amino-N-benzyl-1-[(2-methylphenyl)methyl]triazole-4-carboxamide
CID 20862522

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-benzyl-1-(3-methylphenyl)triazole-4-carboxamide?
The IUPAC name of 5-amino-N-benzyl-1-(3-methylphenyl)triazole-4-carboxamide (CID 3238804) is 5-amino-N-benzyl-1-(3-methylphenyl)triazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-benzyl-1-(3-methylphenyl)triazole-4-carboxamide?
The canonical SMILES for 5-amino-N-benzyl-1-(3-methylphenyl)triazole-4-carboxamide is Cc1cccc(-n2nnc(C(=O)NCc3ccccc3)c2N)c1.
What is the InChIKey of 5-amino-N-benzyl-1-(3-methylphenyl)triazole-4-carboxamide?
The InChIKey is YDLRVMKJYKWIHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O/c1-12-6-5-9-14(10-12)22-16(18)15(20-21-22)17(23)19-11-13-7-3-2-4-8-13/h2-10H,11,18H2,1H3,(H,19,23).
What are the key properties of 5-amino-N-benzyl-1-(3-methylphenyl)triazole-4-carboxamide?
5-amino-N-benzyl-1-(3-methylphenyl)triazole-4-carboxamide has a molecular weight of 307.36 g/mol, XLogP of 2.09, 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-(3-methylphenyl)triazole-4-carboxamide is sourced from PubChem (CID 3238804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).