2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetamide

C6H10N4O — CID 60748121

IUPAC2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetamide
SMILESCc1nc(C)n(CC(N)=O)n1
InChIInChI=1S/C6H10N4O/c1-4-8-5(2)10(9-4)3-6(7)11/h3H2,1-2H3,(H2,7,11)
InChIKeyLVPYTCUDNUANSG-UHFFFAOYSA-N
MW154.17 g/mol
LogP-0.62
Rot. Bonds2

About 2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetamide

2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetamide (PubChem CID 60748121) has the molecular formula C6H10N4O and a molecular weight of 154.17 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetamide
PubChem CID60748121
Molecular FormulaC6H10N4O
Molecular Weight154.17 g/mol
Exact Mass154.09
IUPAC Name2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetamide
SMILESCc1nc(C)n(CC(N)=O)n1
InChIInChI=1S/C6H10N4O/c1-4-8-5(2)10(9-4)3-6(7)11/h3H2,1-2H3,(H2,7,11)
InChIKeyLVPYTCUDNUANSG-UHFFFAOYSA-N
XLogP-0.62
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 5-0.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetamide?
The IUPAC name of 2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetamide (CID 60748121) is 2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for 2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetamide is Cc1nc(C)n(CC(N)=O)n1.
What is the InChIKey of 2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetamide?
The InChIKey is LVPYTCUDNUANSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O/c1-4-8-5(2)10(9-4)3-6(7)11/h3H2,1-2H3,(H2,7,11).
What are the key properties of 2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetamide?
2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetamide has a molecular weight of 154.17 g/mol, XLogP of -0.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 60748121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).