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

C11H13N5O — CID 1499694

IUPAC5-amino-N-benzyl-1-methyltriazole-4-carboxamide
SMILESCn1nnc(C(=O)NCc2ccccc2)c1N
InChIInChI=1S/C11H13N5O/c1-16-10(12)9(14-15-16)11(17)13-7-8-5-3-2-4-6-8/h2-6H,7,12H2,1H3,(H,13,17)
InChIKeyCGHDVLIVVSDJSK-UHFFFAOYSA-N
MW231.26 g/mol
LogP0.33
Rot. Bonds3

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

5-amino-N-benzyl-1-methyltriazole-4-carboxamide (PubChem CID 1499694) has the molecular formula C11H13N5O and a molecular weight of 231.26 g/mol. Its IUPAC name is 5-amino-N-benzyl-1-methyltriazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-benzyl-1-methyltriazole-4-carboxamide
PubChem CID1499694
Molecular FormulaC11H13N5O
Molecular Weight231.26 g/mol
Exact Mass231.11
IUPAC Name5-amino-N-benzyl-1-methyltriazole-4-carboxamide
SMILESCn1nnc(C(=O)NCc2ccccc2)c1N
InChIInChI=1S/C11H13N5O/c1-16-10(12)9(14-15-16)11(17)13-7-8-5-3-2-4-6-8/h2-6H,7,12H2,1H3,(H,13,17)
InChIKeyCGHDVLIVVSDJSK-UHFFFAOYSA-N
XLogP0.33
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 50.33
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
5-amino-1-methyl-N-phenyltriazole-4-carboxamide
CID 105470817
5-amino-N-benzyl-1-[(2-methylphenyl)methyl]triazole-4-carboxamide
CID 20862522
5-amino-N-benzyl-1-(3-methylphenyl)triazole-4-carboxamide
CID 3238804
5-amino-N-benzyl-1-methylpyrazole-4-carboxamide
CID 13174826
5-amino-1-(2-anilino-2-oxoethyl)-N-benzyltriazole-4-carboxamide
CID 6619515
5-(benzylamino)-1-methyltriazole-4-carboxamide
CID 12745324
5-amino-N-benzyl-1-[2-(2,6-dimethylanilino)-2-oxoethyl]triazole-4-carboxamide
CID 20853713
5-amino-1-benzyl-N-[(2-chlorophenyl)methyl]triazole-4-carboxamide
CID 7385903
1-methyl-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]indazole-3-carboxamide
CID 131924675
4-amino-N-benzyl-1-ethylpyrazole-3-carboxamide
CID 19620451

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-benzyl-1-methyltriazole-4-carboxamide?
The IUPAC name of 5-amino-N-benzyl-1-methyltriazole-4-carboxamide (CID 1499694) is 5-amino-N-benzyl-1-methyltriazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-benzyl-1-methyltriazole-4-carboxamide?
The canonical SMILES for 5-amino-N-benzyl-1-methyltriazole-4-carboxamide is Cn1nnc(C(=O)NCc2ccccc2)c1N.
What is the InChIKey of 5-amino-N-benzyl-1-methyltriazole-4-carboxamide?
The InChIKey is CGHDVLIVVSDJSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O/c1-16-10(12)9(14-15-16)11(17)13-7-8-5-3-2-4-6-8/h2-6H,7,12H2,1H3,(H,13,17).
What are the key properties of 5-amino-N-benzyl-1-methyltriazole-4-carboxamide?
5-amino-N-benzyl-1-methyltriazole-4-carboxamide has a molecular weight of 231.26 g/mol, XLogP of 0.33, 3 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-methyltriazole-4-carboxamide is sourced from PubChem (CID 1499694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).