N-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]acetamide

C7H12N4O — CID 23402948

IUPACN-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]acetamide
SMILESCC(=O)N(C)CCn1cncn1
InChIInChI=1S/C7H12N4O/c1-7(12)10(2)3-4-11-6-8-5-9-11/h5-6H,3-4H2,1-2H3
InChIKeyYFCJWSNSPZGMFN-UHFFFAOYSA-N
MW168.20 g/mol
LogP-0.24
Rot. Bonds3

About N-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]acetamide

N-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]acetamide (PubChem CID 23402948) has the molecular formula C7H12N4O and a molecular weight of 168.20 g/mol. Its IUPAC name is N-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]acetamide
PubChem CID23402948
Molecular FormulaC7H12N4O
Molecular Weight168.20 g/mol
Exact Mass168.10
IUPAC NameN-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]acetamide
SMILESCC(=O)N(C)CCn1cncn1
InChIInChI=1S/C7H12N4O/c1-7(12)10(2)3-4-11-6-8-5-9-11/h5-6H,3-4H2,1-2H3
InChIKeyYFCJWSNSPZGMFN-UHFFFAOYSA-N
XLogP-0.24
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 5-0.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]acetamide?
The IUPAC name of N-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]acetamide (CID 23402948) is N-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]acetamide.
What is the SMILES notation for N-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]acetamide?
The canonical SMILES for N-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]acetamide is CC(=O)N(C)CCn1cncn1.
What is the InChIKey of N-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]acetamide?
The InChIKey is YFCJWSNSPZGMFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O/c1-7(12)10(2)3-4-11-6-8-5-9-11/h5-6H,3-4H2,1-2H3.
What are the key properties of N-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]acetamide?
N-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]acetamide has a molecular weight of 168.20 g/mol, XLogP of -0.24, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]acetamide is sourced from PubChem (CID 23402948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).