1-ethyltriazole

C4H7N3 — CID 10887837

IUPAC1-ethyltriazole
SMILESCCn1ccnn1
InChIInChI=1S/C4H7N3/c1-2-7-4-3-5-6-7/h3-4H,2H2,1H3
InChIKeyALNWCYLRUYXLCD-UHFFFAOYSA-N
MW97.12 g/mol
LogP0.30
Rot. Bonds1

About 1-ethyltriazole

1-ethyltriazole (PubChem CID 10887837) has the molecular formula C4H7N3 and a molecular weight of 97.12 g/mol. Its IUPAC name is 1-ethyltriazole.

Molecular Properties

Compound Name1-ethyltriazole
PubChem CID10887837
Molecular FormulaC4H7N3
Molecular Weight97.12 g/mol
Exact Mass97.06
IUPAC Name1-ethyltriazole
SMILESCCn1ccnn1
InChIInChI=1S/C4H7N3/c1-2-7-4-3-5-6-7/h3-4H,2H2,1H3
InChIKeyALNWCYLRUYXLCD-UHFFFAOYSA-N
XLogP0.30
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.12
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyltriazole?
The IUPAC name of 1-ethyltriazole (CID 10887837) is 1-ethyltriazole.
What is the SMILES notation for 1-ethyltriazole?
The canonical SMILES for 1-ethyltriazole is CCn1ccnn1.
What is the InChIKey of 1-ethyltriazole?
The InChIKey is ALNWCYLRUYXLCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3/c1-2-7-4-3-5-6-7/h3-4H,2H2,1H3.
What are the key properties of 1-ethyltriazole?
1-ethyltriazole has a molecular weight of 97.12 g/mol, XLogP of 0.30, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyltriazole is sourced from PubChem (CID 10887837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).