1-ethyl-5-methyltriazole

C5H9N3 — CID 66792062

IUPAC1-ethyl-5-methyltriazole
SMILESCCn1nncc1C
InChIInChI=1S/C5H9N3/c1-3-8-5(2)4-6-7-8/h4H,3H2,1-2H3
InChIKeySUZDYMJORILXGJ-UHFFFAOYSA-N
MW111.15 g/mol
LogP0.61
Rot. Bonds1

About 1-ethyl-5-methyltriazole

1-ethyl-5-methyltriazole (PubChem CID 66792062) has the molecular formula C5H9N3 and a molecular weight of 111.15 g/mol. Its IUPAC name is 1-ethyl-5-methyltriazole.

Molecular Properties

Compound Name1-ethyl-5-methyltriazole
PubChem CID66792062
Molecular FormulaC5H9N3
Molecular Weight111.15 g/mol
Exact Mass111.08
IUPAC Name1-ethyl-5-methyltriazole
SMILESCCn1nncc1C
InChIInChI=1S/C5H9N3/c1-3-8-5(2)4-6-7-8/h4H,3H2,1-2H3
InChIKeySUZDYMJORILXGJ-UHFFFAOYSA-N
XLogP0.61
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.15
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-methyltriazole?
The IUPAC name of 1-ethyl-5-methyltriazole (CID 66792062) is 1-ethyl-5-methyltriazole.
What is the SMILES notation for 1-ethyl-5-methyltriazole?
The canonical SMILES for 1-ethyl-5-methyltriazole is CCn1nncc1C.
What is the InChIKey of 1-ethyl-5-methyltriazole?
The InChIKey is SUZDYMJORILXGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3/c1-3-8-5(2)4-6-7-8/h4H,3H2,1-2H3.
What are the key properties of 1-ethyl-5-methyltriazole?
1-ethyl-5-methyltriazole has a molecular weight of 111.15 g/mol, XLogP of 0.61, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-methyltriazole is sourced from PubChem (CID 66792062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).