2-[acetyl(methyl)amino]-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide

C8H13N5O2 — CID 60982279

IUPAC2-[acetyl(methyl)amino]-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
SMILESCC(=O)N(C)CC(=O)NCc1ncn[nH]1
InChIInChI=1S/C8H13N5O2/c1-6(14)13(2)4-8(15)9-3-7-10-5-11-12-7/h5H,3-4H2,1-2H3,(H,9,15)(H,10,11,12)
InChIKeyZKEACBQNEXIGRW-UHFFFAOYSA-N
MW211.22 g/mol
LogP-1.10
Rot. Bonds4

About 2-[acetyl(methyl)amino]-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide

2-[acetyl(methyl)amino]-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide (PubChem CID 60982279) has the molecular formula C8H13N5O2 and a molecular weight of 211.22 g/mol. Its IUPAC name is 2-[acetyl(methyl)amino]-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[acetyl(methyl)amino]-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
PubChem CID60982279
Molecular FormulaC8H13N5O2
Molecular Weight211.22 g/mol
Exact Mass211.11
IUPAC Name2-[acetyl(methyl)amino]-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
SMILESCC(=O)N(C)CC(=O)NCc1ncn[nH]1
InChIInChI=1S/C8H13N5O2/c1-6(14)13(2)4-8(15)9-3-7-10-5-11-12-7/h5H,3-4H2,1-2H3,(H,9,15)(H,10,11,12)
InChIKeyZKEACBQNEXIGRW-UHFFFAOYSA-N
XLogP-1.10
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-1.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(methyl)amino]-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide?
The IUPAC name of 2-[acetyl(methyl)amino]-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide (CID 60982279) is 2-[acetyl(methyl)amino]-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide.
What is the SMILES notation for 2-[acetyl(methyl)amino]-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide?
The canonical SMILES for 2-[acetyl(methyl)amino]-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide is CC(=O)N(C)CC(=O)NCc1ncn[nH]1.
What is the InChIKey of 2-[acetyl(methyl)amino]-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide?
The InChIKey is ZKEACBQNEXIGRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O2/c1-6(14)13(2)4-8(15)9-3-7-10-5-11-12-7/h5H,3-4H2,1-2H3,(H,9,15)(H,10,11,12).
What are the key properties of 2-[acetyl(methyl)amino]-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide?
2-[acetyl(methyl)amino]-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide has a molecular weight of 211.22 g/mol, XLogP of -1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(methyl)amino]-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide is sourced from PubChem (CID 60982279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).