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

C6H10N4O — CID 122536332

IUPACN-[2-(1,2,4-triazol-1-yl)ethyl]acetamide
SMILESCC(=O)NCCn1cncn1
InChIInChI=1S/C6H10N4O/c1-6(11)8-2-3-10-5-7-4-9-10/h4-5H,2-3H2,1H3,(H,8,11)
InChIKeyBGJNLQJEHXIEOO-UHFFFAOYSA-N
MW154.17 g/mol
LogP-0.59
Rot. Bonds3

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

N-[2-(1,2,4-triazol-1-yl)ethyl]acetamide (PubChem CID 122536332) has the molecular formula C6H10N4O and a molecular weight of 154.17 g/mol. Its IUPAC name is N-[2-(1,2,4-triazol-1-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(1,2,4-triazol-1-yl)ethyl]acetamide
PubChem CID122536332
Molecular FormulaC6H10N4O
Molecular Weight154.17 g/mol
Exact Mass154.09
IUPAC NameN-[2-(1,2,4-triazol-1-yl)ethyl]acetamide
SMILESCC(=O)NCCn1cncn1
InChIInChI=1S/C6H10N4O/c1-6(11)8-2-3-10-5-7-4-9-10/h4-5H,2-3H2,1H3,(H,8,11)
InChIKeyBGJNLQJEHXIEOO-UHFFFAOYSA-N
XLogP-0.59
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 5-0.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1,2,4-triazol-1-yl)ethyl]acetamide?
The IUPAC name of N-[2-(1,2,4-triazol-1-yl)ethyl]acetamide (CID 122536332) is N-[2-(1,2,4-triazol-1-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(1,2,4-triazol-1-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(1,2,4-triazol-1-yl)ethyl]acetamide is CC(=O)NCCn1cncn1.
What is the InChIKey of N-[2-(1,2,4-triazol-1-yl)ethyl]acetamide?
The InChIKey is BGJNLQJEHXIEOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O/c1-6(11)8-2-3-10-5-7-4-9-10/h4-5H,2-3H2,1H3,(H,8,11).
What are the key properties of N-[2-(1,2,4-triazol-1-yl)ethyl]acetamide?
N-[2-(1,2,4-triazol-1-yl)ethyl]acetamide has a molecular weight of 154.17 g/mol, XLogP of -0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,2,4-triazol-1-yl)ethyl]acetamide is sourced from PubChem (CID 122536332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).