2-(3-amino-1,2,4-triazol-1-yl)ethyl acetate

C6H10N4O2 — CID 154351253

IUPAC2-(3-amino-1,2,4-triazol-1-yl)ethyl acetate
SMILESCC(=O)OCCn1cnc(N)n1
InChIInChI=1S/C6H10N4O2/c1-5(11)12-3-2-10-4-8-6(7)9-10/h4H,2-3H2,1H3,(H2,7,9)
InChIKeySRZDINLINOKJEJ-UHFFFAOYSA-N
MW170.17 g/mol
LogP-0.58
Rot. Bonds3

About 2-(3-amino-1,2,4-triazol-1-yl)ethyl acetate

2-(3-amino-1,2,4-triazol-1-yl)ethyl acetate (PubChem CID 154351253) has the molecular formula C6H10N4O2 and a molecular weight of 170.17 g/mol. Its IUPAC name is 2-(3-amino-1,2,4-triazol-1-yl)ethyl acetate.

Molecular Properties

Compound Name2-(3-amino-1,2,4-triazol-1-yl)ethyl acetate
PubChem CID154351253
Molecular FormulaC6H10N4O2
Molecular Weight170.17 g/mol
Exact Mass170.08
IUPAC Name2-(3-amino-1,2,4-triazol-1-yl)ethyl acetate
SMILESCC(=O)OCCn1cnc(N)n1
InChIInChI=1S/C6H10N4O2/c1-5(11)12-3-2-10-4-8-6(7)9-10/h4H,2-3H2,1H3,(H2,7,9)
InChIKeySRZDINLINOKJEJ-UHFFFAOYSA-N
XLogP-0.58
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 5-0.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)ethyl acetate?
The IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)ethyl acetate (CID 154351253) is 2-(3-amino-1,2,4-triazol-1-yl)ethyl acetate.
What is the SMILES notation for 2-(3-amino-1,2,4-triazol-1-yl)ethyl acetate?
The canonical SMILES for 2-(3-amino-1,2,4-triazol-1-yl)ethyl acetate is CC(=O)OCCn1cnc(N)n1.
What is the InChIKey of 2-(3-amino-1,2,4-triazol-1-yl)ethyl acetate?
The InChIKey is SRZDINLINOKJEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O2/c1-5(11)12-3-2-10-4-8-6(7)9-10/h4H,2-3H2,1H3,(H2,7,9).
What are the key properties of 2-(3-amino-1,2,4-triazol-1-yl)ethyl acetate?
2-(3-amino-1,2,4-triazol-1-yl)ethyl acetate has a molecular weight of 170.17 g/mol, XLogP of -0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-1,2,4-triazol-1-yl)ethyl acetate is sourced from PubChem (CID 154351253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).