3-ethenyl-4,5-dimethyl-1,2,4-triazole

C6H9N3 — CID 91174647

IUPAC3-ethenyl-4,5-dimethyl-1,2,4-triazole
SMILESC=Cc1nnc(C)n1C
InChIInChI=1S/C6H9N3/c1-4-6-8-7-5(2)9(6)3/h4H,1H2,2-3H3
InChIKeySYPSGEQLVNERJW-UHFFFAOYSA-N
MW123.16 g/mol
LogP0.77
Rot. Bonds1

About 3-ethenyl-4,5-dimethyl-1,2,4-triazole

3-ethenyl-4,5-dimethyl-1,2,4-triazole (PubChem CID 91174647) has the molecular formula C6H9N3 and a molecular weight of 123.16 g/mol. Its IUPAC name is 3-ethenyl-4,5-dimethyl-1,2,4-triazole.

Molecular Properties

Compound Name3-ethenyl-4,5-dimethyl-1,2,4-triazole
PubChem CID91174647
Molecular FormulaC6H9N3
Molecular Weight123.16 g/mol
Exact Mass123.08
IUPAC Name3-ethenyl-4,5-dimethyl-1,2,4-triazole
SMILESC=Cc1nnc(C)n1C
InChIInChI=1S/C6H9N3/c1-4-6-8-7-5(2)9(6)3/h4H,1H2,2-3H3
InChIKeySYPSGEQLVNERJW-UHFFFAOYSA-N
XLogP0.77
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.16
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,4,5-Trimethyl-4H-1,2,4-triazole
CID 573470
5-(Difluoromethyl)-3-ethenyl-1-methyl-1,2,4-triazole
CID 169809302
5-Ethenyl-1-methyl-3-(trifluoromethyl)-1,2,4-triazole
CID 171542259
1,5-Dimethyl-4-prop-2-enyl-1,2,4-triazol-4-ium-3-thiolate
CID 14495490
4-Ethyl-3,5-dimethyl-4H-1,2,4-triazole
CID 18686440
3-Ethyl-4,5-dimethyl-1,2,4-triazole
CID 18726711
1-methyl-5-[(E)-prop-1-enyl]-1,2,4-triazole
CID 56977342
3,4-diethyl-5-[(E)-prop-1-enyl]-1,2,4-triazole
CID 57189602
1-methyl-3-[(E)-prop-1-enyl]-1,2,4-triazole
CID 57246645
3-propan-2-yl-5H-pyrrolo[2,1-c][1,2,4]triazole
CID 58783642
3-Ethenyl-5-methyl-1,2-diaza-4-azanidacyclopenta-2,5-diene;tungsten;tungsten(2+)
CID 58904784
5-Ethenyl-1,4-dimethyl-1,2,4-triazol-4-ium-3-thiolate
CID 58997887

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-4,5-dimethyl-1,2,4-triazole?
The IUPAC name of 3-ethenyl-4,5-dimethyl-1,2,4-triazole (CID 91174647) is 3-ethenyl-4,5-dimethyl-1,2,4-triazole.
What is the SMILES notation for 3-ethenyl-4,5-dimethyl-1,2,4-triazole?
The canonical SMILES for 3-ethenyl-4,5-dimethyl-1,2,4-triazole is C=Cc1nnc(C)n1C.
What is the InChIKey of 3-ethenyl-4,5-dimethyl-1,2,4-triazole?
The InChIKey is SYPSGEQLVNERJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3/c1-4-6-8-7-5(2)9(6)3/h4H,1H2,2-3H3.
What are the key properties of 3-ethenyl-4,5-dimethyl-1,2,4-triazole?
3-ethenyl-4,5-dimethyl-1,2,4-triazole has a molecular weight of 123.16 g/mol, XLogP of 0.77, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-4,5-dimethyl-1,2,4-triazole is sourced from PubChem (CID 91174647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).