N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide

C7H12N4O — CID 60771033

IUPACN-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide
SMILESCC(=O)NC(C)c1nncn1C
InChIInChI=1S/C7H12N4O/c1-5(9-6(2)12)7-10-8-4-11(7)3/h4-5H,1-3H3,(H,9,12)
InChIKeyNNEZGPGZIUWCOL-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.01
Rot. Bonds2

About N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide

N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide (PubChem CID 60771033) has the molecular formula C7H12N4O and a molecular weight of 168.20 g/mol. Its IUPAC name is N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide
PubChem CID60771033
Molecular FormulaC7H12N4O
Molecular Weight168.20 g/mol
Exact Mass168.10
IUPAC NameN-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide
SMILESCC(=O)NC(C)c1nncn1C
InChIInChI=1S/C7H12N4O/c1-5(9-6(2)12)7-10-8-4-11(7)3/h4-5H,1-3H3,(H,9,12)
InChIKeyNNEZGPGZIUWCOL-UHFFFAOYSA-N
XLogP0.01
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide?
The IUPAC name of N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide (CID 60771033) is N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide.
What is the SMILES notation for N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide?
The canonical SMILES for N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide is CC(=O)NC(C)c1nncn1C.
What is the InChIKey of N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide?
The InChIKey is NNEZGPGZIUWCOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O/c1-5(9-6(2)12)7-10-8-4-11(7)3/h4-5H,1-3H3,(H,9,12).
What are the key properties of N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide?
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide has a molecular weight of 168.20 g/mol, XLogP of 0.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide is sourced from PubChem (CID 60771033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).