4-ethenyl-1-methyltriazole

C5H7N3 — CID 54142688

IUPAC4-ethenyl-1-methyltriazole
SMILESC=Cc1cn(C)nn1
InChIInChI=1S/C5H7N3/c1-3-5-4-8(2)7-6-5/h3-4H,1H2,2H3
InChIKeyIBQZWWOXGSTKGP-UHFFFAOYSA-N
MW109.13 g/mol
LogP0.46
Rot. Bonds1

About 4-ethenyl-1-methyltriazole

4-ethenyl-1-methyltriazole (PubChem CID 54142688) has the molecular formula C5H7N3 and a molecular weight of 109.13 g/mol. Its IUPAC name is 4-ethenyl-1-methyltriazole.

Molecular Properties

Compound Name4-ethenyl-1-methyltriazole
PubChem CID54142688
Molecular FormulaC5H7N3
Molecular Weight109.13 g/mol
Exact Mass109.06
IUPAC Name4-ethenyl-1-methyltriazole
SMILESC=Cc1cn(C)nn1
InChIInChI=1S/C5H7N3/c1-3-5-4-8(2)7-6-5/h3-4H,1H2,2H3
InChIKeyIBQZWWOXGSTKGP-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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Related Compounds

4-Methyl-1-prop-2-enyltriazole
CID 13553893
1,4-Dimethyl-1H-1,2,3-triazole
CID 15257142
1,4-Diethyltriazole
CID 19779068
4-Ethyl-1-methyltriazole
CID 59050128
4-(Fluoromethyl)-1-methyltriazole
CID 68256619
1-(Fluoromethyl)-4-methyltriazole
CID 68256686
1-Prop-2-enyl-4-(trifluoromethyl)triazole
CID 141182619
1-Butyl-4-ethenyltriazole
CID 21679664
1-Butyl-5-ethenyltriazole
CID 21679665
1,5-Bis(ethenyl)triazole
CID 12506802
5-Ethenyl-1-(ethoxymethyl)triazole
CID 22616280
1-Buta-1,2-dienyl-4-ethyltriazole
CID 58559423

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-1-methyltriazole?
The IUPAC name of 4-ethenyl-1-methyltriazole (CID 54142688) is 4-ethenyl-1-methyltriazole.
What is the SMILES notation for 4-ethenyl-1-methyltriazole?
The canonical SMILES for 4-ethenyl-1-methyltriazole is C=Cc1cn(C)nn1.
What is the InChIKey of 4-ethenyl-1-methyltriazole?
The InChIKey is IBQZWWOXGSTKGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3/c1-3-5-4-8(2)7-6-5/h3-4H,1H2,2H3.
What are the key properties of 4-ethenyl-1-methyltriazole?
4-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 4-ethenyl-1-methyltriazole is sourced from PubChem (CID 54142688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).