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

C6H10N4O — CID 676440

IUPACN-(3,5-dimethyl-1,2,4-triazol-4-yl)acetamide
SMILESCC(=O)Nn1c(C)nnc1C
InChIInChI=1S/C6H10N4O/c1-4-7-8-5(2)10(4)9-6(3)11/h1-3H3,(H,9,11)
InChIKeyQXEHROVAQPFVKV-UHFFFAOYSA-N
MW154.17 g/mol
LogP-0.02
Rot. Bonds1

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

N-(3,5-dimethyl-1,2,4-triazol-4-yl)acetamide (PubChem CID 676440) has the molecular formula C6H10N4O and a molecular weight of 154.17 g/mol. Its IUPAC name is N-(3,5-dimethyl-1,2,4-triazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-1,2,4-triazol-4-yl)acetamide
PubChem CID676440
Molecular FormulaC6H10N4O
Molecular Weight154.17 g/mol
Exact Mass154.09
IUPAC NameN-(3,5-dimethyl-1,2,4-triazol-4-yl)acetamide
SMILESCC(=O)Nn1c(C)nnc1C
InChIInChI=1S/C6H10N4O/c1-4-7-8-5(2)10(4)9-6(3)11/h1-3H3,(H,9,11)
InChIKeyQXEHROVAQPFVKV-UHFFFAOYSA-N
XLogP-0.02
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-1,2,4-triazol-4-yl)acetamide?
The IUPAC name of N-(3,5-dimethyl-1,2,4-triazol-4-yl)acetamide (CID 676440) is N-(3,5-dimethyl-1,2,4-triazol-4-yl)acetamide.
What is the SMILES notation for N-(3,5-dimethyl-1,2,4-triazol-4-yl)acetamide?
The canonical SMILES for N-(3,5-dimethyl-1,2,4-triazol-4-yl)acetamide is CC(=O)Nn1c(C)nnc1C.
What is the InChIKey of N-(3,5-dimethyl-1,2,4-triazol-4-yl)acetamide?
The InChIKey is QXEHROVAQPFVKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O/c1-4-7-8-5(2)10(4)9-6(3)11/h1-3H3,(H,9,11).
What are the key properties of N-(3,5-dimethyl-1,2,4-triazol-4-yl)acetamide?
N-(3,5-dimethyl-1,2,4-triazol-4-yl)acetamide has a molecular weight of 154.17 g/mol, XLogP of -0.02, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-1,2,4-triazol-4-yl)acetamide is sourced from PubChem (CID 676440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).