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

C10H11N5O — CID 105470817

IUPAC5-amino-1-methyl-N-phenyltriazole-4-carboxamide
SMILESCn1nnc(C(=O)Nc2ccccc2)c1N
InChIInChI=1S/C10H11N5O/c1-15-9(11)8(13-14-15)10(16)12-7-5-3-2-4-6-7/h2-6H,11H2,1H3,(H,12,16)
InChIKeyYLANTJFZDIESAF-UHFFFAOYSA-N
MW217.23 g/mol
LogP0.65
Rot. Bonds2

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

5-amino-1-methyl-N-phenyltriazole-4-carboxamide (PubChem CID 105470817) has the molecular formula C10H11N5O and a molecular weight of 217.23 g/mol. Its IUPAC name is 5-amino-1-methyl-N-phenyltriazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-methyl-N-phenyltriazole-4-carboxamide
PubChem CID105470817
Molecular FormulaC10H11N5O
Molecular Weight217.23 g/mol
Exact Mass217.10
IUPAC Name5-amino-1-methyl-N-phenyltriazole-4-carboxamide
SMILESCn1nnc(C(=O)Nc2ccccc2)c1N
InChIInChI=1S/C10H11N5O/c1-15-9(11)8(13-14-15)10(16)12-7-5-3-2-4-6-7/h2-6H,11H2,1H3,(H,12,16)
InChIKeyYLANTJFZDIESAF-UHFFFAOYSA-N
XLogP0.65
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-N-benzyl-1-methyltriazole-4-carboxamide
CID 1499694
5-amino-1-[2-(4-methylanilino)-2-oxoethyl]-N-phenyltriazole-4-carboxamide
CID 22423731
5-amino-1-phenyl-N-(4-propan-2-ylphenyl)triazole-4-carboxamide
CID 27260956
5-amino-N-(4-bromophenyl)-1-(2-methylphenyl)triazole-4-carboxamide
CID 140862073
6-amino-1,3-dimethyl-N-phenylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 39096980
5-amino-1-(2-anilino-2-oxoethyl)-N-(2-ethylphenyl)triazole-4-carboxamide
CID 50927865
1,5-dimethyl-N-pyridin-3-yltriazole-4-carboxamide
CID 56943631
5-ethyl-N,1-diphenyltriazole-4-carboxamide
CID 15944220
5-amino-3-N,1-diphenylpyrazole-3,4-dicarboxamide
CID 163894427
5-amino-1-phenyl-N-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 27262208
5-methyl-1-naphthalen-1-yl-N-phenyltriazole-4-carboxamide
CID 3053676
1,3,5-trimethyl-N-phenylpyrazole-4-carboxamide
CID 19281566

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-methyl-N-phenyltriazole-4-carboxamide?
The IUPAC name of 5-amino-1-methyl-N-phenyltriazole-4-carboxamide (CID 105470817) is 5-amino-1-methyl-N-phenyltriazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-methyl-N-phenyltriazole-4-carboxamide?
The canonical SMILES for 5-amino-1-methyl-N-phenyltriazole-4-carboxamide is Cn1nnc(C(=O)Nc2ccccc2)c1N.
What is the InChIKey of 5-amino-1-methyl-N-phenyltriazole-4-carboxamide?
The InChIKey is YLANTJFZDIESAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O/c1-15-9(11)8(13-14-15)10(16)12-7-5-3-2-4-6-7/h2-6H,11H2,1H3,(H,12,16).
What are the key properties of 5-amino-1-methyl-N-phenyltriazole-4-carboxamide?
5-amino-1-methyl-N-phenyltriazole-4-carboxamide has a molecular weight of 217.23 g/mol, XLogP of 0.65, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-methyl-N-phenyltriazole-4-carboxamide is sourced from PubChem (CID 105470817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).