N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-N-methylacetamide

C11H13N5O — CID 801188

IUPACN-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-N-methylacetamide
SMILESCC(=O)N(C)c1nc(N)n(-c2ccccc2)n1
InChIInChI=1S/C11H13N5O/c1-8(17)15(2)11-13-10(12)16(14-11)9-6-4-3-5-7-9/h3-7H,1-2H3,(H2,12,13,14)
InChIKeyLZBVOGQYFJXVRF-UHFFFAOYSA-N
MW231.26 g/mol
LogP0.83
Rot. Bonds2

About N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-N-methylacetamide

N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-N-methylacetamide (PubChem CID 801188) has the molecular formula C11H13N5O and a molecular weight of 231.26 g/mol. Its IUPAC name is N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-N-methylacetamide
PubChem CID801188
Molecular FormulaC11H13N5O
Molecular Weight231.26 g/mol
Exact Mass231.11
IUPAC NameN-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-N-methylacetamide
SMILESCC(=O)N(C)c1nc(N)n(-c2ccccc2)n1
InChIInChI=1S/C11H13N5O/c1-8(17)15(2)11-13-10(12)16(14-11)9-6-4-3-5-7-9/h3-7H,1-2H3,(H2,12,13,14)
InChIKeyLZBVOGQYFJXVRF-UHFFFAOYSA-N
XLogP0.83
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-N-methylacetamide?
The IUPAC name of N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-N-methylacetamide (CID 801188) is N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-N-methylacetamide.
What is the SMILES notation for N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-N-methylacetamide?
The canonical SMILES for N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-N-methylacetamide is CC(=O)N(C)c1nc(N)n(-c2ccccc2)n1.
What is the InChIKey of N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-N-methylacetamide?
The InChIKey is LZBVOGQYFJXVRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O/c1-8(17)15(2)11-13-10(12)16(14-11)9-6-4-3-5-7-9/h3-7H,1-2H3,(H2,12,13,14).
What are the key properties of N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-N-methylacetamide?
N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-N-methylacetamide has a molecular weight of 231.26 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-N-methylacetamide is sourced from PubChem (CID 801188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).