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

C7H11N5O2 — CID 61381736

IUPAC2-[acetyl(methyl)amino]-N-(1H-1,2,4-triazol-5-yl)acetamide
SMILESCC(=O)N(C)CC(=O)Nc1ncn[nH]1
InChIInChI=1S/C7H11N5O2/c1-5(13)12(2)3-6(14)10-7-8-4-9-11-7/h4H,3H2,1-2H3,(H2,8,9,10,11,14)
InChIKeyILADOGRDDYGCHI-UHFFFAOYSA-N
MW197.20 g/mol
LogP-0.78
Rot. Bonds3

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

2-[acetyl(methyl)amino]-N-(1H-1,2,4-triazol-5-yl)acetamide (PubChem CID 61381736) has the molecular formula C7H11N5O2 and a molecular weight of 197.20 g/mol. Its IUPAC name is 2-[acetyl(methyl)amino]-N-(1H-1,2,4-triazol-5-yl)acetamide.

Molecular Properties

Compound Name2-[acetyl(methyl)amino]-N-(1H-1,2,4-triazol-5-yl)acetamide
PubChem CID61381736
Molecular FormulaC7H11N5O2
Molecular Weight197.20 g/mol
Exact Mass197.09
IUPAC Name2-[acetyl(methyl)amino]-N-(1H-1,2,4-triazol-5-yl)acetamide
SMILESCC(=O)N(C)CC(=O)Nc1ncn[nH]1
InChIInChI=1S/C7H11N5O2/c1-5(13)12(2)3-6(14)10-7-8-4-9-11-7/h4H,3H2,1-2H3,(H2,8,9,10,11,14)
InChIKeyILADOGRDDYGCHI-UHFFFAOYSA-N
XLogP-0.78
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 5-0.78
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-yl)acetamide?
The IUPAC name of 2-[acetyl(methyl)amino]-N-(1H-1,2,4-triazol-5-yl)acetamide (CID 61381736) is 2-[acetyl(methyl)amino]-N-(1H-1,2,4-triazol-5-yl)acetamide.
What is the SMILES notation for 2-[acetyl(methyl)amino]-N-(1H-1,2,4-triazol-5-yl)acetamide?
The canonical SMILES for 2-[acetyl(methyl)amino]-N-(1H-1,2,4-triazol-5-yl)acetamide is CC(=O)N(C)CC(=O)Nc1ncn[nH]1.
What is the InChIKey of 2-[acetyl(methyl)amino]-N-(1H-1,2,4-triazol-5-yl)acetamide?
The InChIKey is ILADOGRDDYGCHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5O2/c1-5(13)12(2)3-6(14)10-7-8-4-9-11-7/h4H,3H2,1-2H3,(H2,8,9,10,11,14).
What are the key properties of 2-[acetyl(methyl)amino]-N-(1H-1,2,4-triazol-5-yl)acetamide?
2-[acetyl(methyl)amino]-N-(1H-1,2,4-triazol-5-yl)acetamide has a molecular weight of 197.20 g/mol, XLogP of -0.78, 3 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-yl)acetamide is sourced from PubChem (CID 61381736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).