5-ethenyl-1-methyltriazole

C5H7N3 — CID 115011041

IUPAC5-ethenyl-1-methyltriazole
SMILESC=Cc1cnnn1C
InChIInChI=1S/C5H7N3/c1-3-5-4-6-7-8(5)2/h3-4H,1H2,2H3
InChIKeyNKIRBSJOIDRRIN-UHFFFAOYSA-N
MW109.13 g/mol
LogP0.46
Rot. Bonds1

About 5-ethenyl-1-methyltriazole

5-ethenyl-1-methyltriazole (PubChem CID 115011041) has the molecular formula C5H7N3 and a molecular weight of 109.13 g/mol. Its IUPAC name is 5-ethenyl-1-methyltriazole.

Molecular Properties

Compound Name5-ethenyl-1-methyltriazole
PubChem CID115011041
Molecular FormulaC5H7N3
Molecular Weight109.13 g/mol
Exact Mass109.06
IUPAC Name5-ethenyl-1-methyltriazole
SMILESC=Cc1cnnn1C
InChIInChI=1S/C5H7N3/c1-3-5-4-6-7-8(5)2/h3-4H,1H2,2H3
InChIKeyNKIRBSJOIDRRIN-UHFFFAOYSA-N
XLogP0.46
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.13
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-1-methyltriazole?
The IUPAC name of 5-ethenyl-1-methyltriazole (CID 115011041) is 5-ethenyl-1-methyltriazole.
What is the SMILES notation for 5-ethenyl-1-methyltriazole?
The canonical SMILES for 5-ethenyl-1-methyltriazole is C=Cc1cnnn1C.
What is the InChIKey of 5-ethenyl-1-methyltriazole?
The InChIKey is NKIRBSJOIDRRIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3/c1-3-5-4-6-7-8(5)2/h3-4H,1H2,2H3.
What are the key properties of 5-ethenyl-1-methyltriazole?
5-ethenyl-1-methyltriazole has a molecular weight of 109.13 g/mol, XLogP of 0.46, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-1-methyltriazole is sourced from PubChem (CID 115011041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).