3-amino-N-methyl-N-phenyl-1H-1,2,4-triazole-5-carboxamide

C10H11N5O — CID 62808230

IUPAC3-amino-N-methyl-N-phenyl-1H-1,2,4-triazole-5-carboxamide
SMILESCN(C(=O)c1nc(N)n[nH]1)c1ccccc1
InChIInChI=1S/C10H11N5O/c1-15(7-5-3-2-4-6-7)9(16)8-12-10(11)14-13-8/h2-6H,1H3,(H3,11,12,13,14)
InChIKeyBNKMEGRIQTYLHW-UHFFFAOYSA-N
MW217.23 g/mol
LogP0.66
Rot. Bonds2

About 3-amino-N-methyl-N-phenyl-1H-1,2,4-triazole-5-carboxamide

3-amino-N-methyl-N-phenyl-1H-1,2,4-triazole-5-carboxamide (PubChem CID 62808230) has the molecular formula C10H11N5O and a molecular weight of 217.23 g/mol. Its IUPAC name is 3-amino-N-methyl-N-phenyl-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-methyl-N-phenyl-1H-1,2,4-triazole-5-carboxamide
PubChem CID62808230
Molecular FormulaC10H11N5O
Molecular Weight217.23 g/mol
Exact Mass217.10
IUPAC Name3-amino-N-methyl-N-phenyl-1H-1,2,4-triazole-5-carboxamide
SMILESCN(C(=O)c1nc(N)n[nH]1)c1ccccc1
InChIInChI=1S/C10H11N5O/c1-15(7-5-3-2-4-6-7)9(16)8-12-10(11)14-13-8/h2-6H,1H3,(H3,11,12,13,14)
InChIKeyBNKMEGRIQTYLHW-UHFFFAOYSA-N
XLogP0.66
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-benzyl-N-methyl-1H-1,2,4-triazole-5-carboxamide
CID 55114994
3-amino-N-methyl-N-(3-phenylpropyl)-1H-1,2,4-triazole-5-carboxamide
CID 55115524
3-amino-N-[2-(dimethylamino)-2-phenylethyl]-1H-1,2,4-triazole-5-carboxamide
CID 62794723
4-amino-N-methyl-N-phenyl-1H-pyrrole-2-carboxamide
CID 43641987
4-amino-N-methyl-N-phenylbenzamide
CID 4306081
3-amino-N-(2-phenylethyl)-1H-1,2,4-triazole-5-carboxamide
CID 62807337
3-amino-N-methyl-N-(2-thiophen-2-ylethyl)-1H-1,2,4-triazole-5-carboxamide
CID 79494822
3-amino-N-methyl-N-phenylnaphthalene-2-carboxamide
CID 14678741
N-methyl-N-phenyl-2H-triazole-4-carboxamide
CID 78968210
4-amino-N-methyl-N-phenylquinoline-2-carboxamide
CID 63375205
2-amino-N-methyl-N-phenylquinoline-4-carboxamide
CID 62155545
N,2-dimethyl-N-phenyl-1,3-thiazole-4-carboxamide
CID 110649635

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-N-phenyl-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of 3-amino-N-methyl-N-phenyl-1H-1,2,4-triazole-5-carboxamide (CID 62808230) is 3-amino-N-methyl-N-phenyl-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-methyl-N-phenyl-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for 3-amino-N-methyl-N-phenyl-1H-1,2,4-triazole-5-carboxamide is CN(C(=O)c1nc(N)n[nH]1)c1ccccc1.
What is the InChIKey of 3-amino-N-methyl-N-phenyl-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is BNKMEGRIQTYLHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O/c1-15(7-5-3-2-4-6-7)9(16)8-12-10(11)14-13-8/h2-6H,1H3,(H3,11,12,13,14).
What are the key properties of 3-amino-N-methyl-N-phenyl-1H-1,2,4-triazole-5-carboxamide?
3-amino-N-methyl-N-phenyl-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 217.23 g/mol, XLogP of 0.66, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-N-phenyl-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 62808230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).