2-[acetyl(methyl)amino]-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide

C8H13N5O3 — CID 83092760

IUPAC2-[acetyl(methyl)amino]-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide
SMILESCOc1n[nH]c(NC(=O)CN(C)C(C)=O)n1
InChIInChI=1S/C8H13N5O3/c1-5(14)13(2)4-6(15)9-7-10-8(16-3)12-11-7/h4H2,1-3H3,(H2,9,10,11,12,15)
InChIKeyCQYLHNIBDXTHAI-UHFFFAOYSA-N
MW227.22 g/mol
LogP-0.77
Rot. Bonds4

About 2-[acetyl(methyl)amino]-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide

2-[acetyl(methyl)amino]-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide (PubChem CID 83092760) has the molecular formula C8H13N5O3 and a molecular weight of 227.22 g/mol. Its IUPAC name is 2-[acetyl(methyl)amino]-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide.

Molecular Properties

Compound Name2-[acetyl(methyl)amino]-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide
PubChem CID83092760
Molecular FormulaC8H13N5O3
Molecular Weight227.22 g/mol
Exact Mass227.10
IUPAC Name2-[acetyl(methyl)amino]-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide
SMILESCOc1n[nH]c(NC(=O)CN(C)C(C)=O)n1
InChIInChI=1S/C8H13N5O3/c1-5(14)13(2)4-6(15)9-7-10-8(16-3)12-11-7/h4H2,1-3H3,(H2,9,10,11,12,15)
InChIKeyCQYLHNIBDXTHAI-UHFFFAOYSA-N
XLogP-0.77
TPSA100.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 5-0.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(methyl)amino]-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide?
The IUPAC name of 2-[acetyl(methyl)amino]-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide (CID 83092760) is 2-[acetyl(methyl)amino]-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide.
What is the SMILES notation for 2-[acetyl(methyl)amino]-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide?
The canonical SMILES for 2-[acetyl(methyl)amino]-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide is COc1n[nH]c(NC(=O)CN(C)C(C)=O)n1.
What is the InChIKey of 2-[acetyl(methyl)amino]-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide?
The InChIKey is CQYLHNIBDXTHAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O3/c1-5(14)13(2)4-6(15)9-7-10-8(16-3)12-11-7/h4H2,1-3H3,(H2,9,10,11,12,15).
What are the key properties of 2-[acetyl(methyl)amino]-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide?
2-[acetyl(methyl)amino]-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide has a molecular weight of 227.22 g/mol, XLogP of -0.77, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(methyl)amino]-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide is sourced from PubChem (CID 83092760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).