1,5-bis(ethenyl)-3-methyl-1,2,4-triazole;ethane

C11H21N3 — CID 145327278

IUPAC1,5-bis(ethenyl)-3-methyl-1,2,4-triazole;ethane
SMILESC=Cc1nc(C)nn1C=C.CC.CC
InChIInChI=1S/C7H9N3.2C2H6/c1-4-7-8-6(3)9-10(7)5-2;2*1-2/h4-5H,1-2H2,3H3;2*1-2H3
InChIKeyCCLKEDYPJPWETQ-UHFFFAOYSA-N
MW195.31 g/mol
LogP3.38
Rot. Bonds2

About 1,5-bis(ethenyl)-3-methyl-1,2,4-triazole;ethane

1,5-bis(ethenyl)-3-methyl-1,2,4-triazole;ethane (PubChem CID 145327278) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 1,5-bis(ethenyl)-3-methyl-1,2,4-triazole;ethane.

Molecular Properties

Compound Name1,5-bis(ethenyl)-3-methyl-1,2,4-triazole;ethane
PubChem CID145327278
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name1,5-bis(ethenyl)-3-methyl-1,2,4-triazole;ethane
SMILESC=Cc1nc(C)nn1C=C.CC.CC
InChIInChI=1S/C7H9N3.2C2H6/c1-4-7-8-6(3)9-10(7)5-2;2*1-2/h4-5H,1-2H2,3H3;2*1-2H3
InChIKeyCCLKEDYPJPWETQ-UHFFFAOYSA-N
XLogP3.38
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Ethenyl-3,5-dimethyl-1H-1,2,4-triazole
CID 15696005
5-Ethenyl-1-propan-2-yl-3-(trifluoromethyl)-1,2,4-triazole
CID 171723580
6-ethenyl-5H-[1,2,4]triazolo[1,5-c]pyrimidine
CID 68709462
1,5-Bis(ethenyl)-3-methyl-1,2,4-triazole
CID 70225297
5-ethenyl-1-ethyl-1H-1,2,4-triazole
CID 71651539
5-ethenyl-1-[(Z)-prop-1-enyl]-1,2,4-triazole
CID 90201343
5-methyl-2-[(Z)-prop-1-enyl]-1,2,4-triazol-3-amine
CID 90299134
3-Ethenyl-4,5-dimethyl-1,2,4-triazole
CID 91174647
1-But-2-enyl-3,5-dimethyl-1,2,4-triazole
CID 91278220
carbanide;2-methyl-5H-[1,2,4]triazolo[1,5-c]pyrimidin-5-ide;tungsten(2+);yttrium
CID 91865803
5-Ethenyl-1-propan-2-yl-1,2,4-triazole
CID 115011320
3-ethenyl-5-methyl-4-[(Z)-prop-1-enyl]-1,2,4-triazole
CID 118674639

Frequently Asked Questions

What is the IUPAC name of 1,5-bis(ethenyl)-3-methyl-1,2,4-triazole;ethane?
The IUPAC name of 1,5-bis(ethenyl)-3-methyl-1,2,4-triazole;ethane (CID 145327278) is 1,5-bis(ethenyl)-3-methyl-1,2,4-triazole;ethane.
What is the SMILES notation for 1,5-bis(ethenyl)-3-methyl-1,2,4-triazole;ethane?
The canonical SMILES for 1,5-bis(ethenyl)-3-methyl-1,2,4-triazole;ethane is C=Cc1nc(C)nn1C=C.CC.CC.
What is the InChIKey of 1,5-bis(ethenyl)-3-methyl-1,2,4-triazole;ethane?
The InChIKey is CCLKEDYPJPWETQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3.2C2H6/c1-4-7-8-6(3)9-10(7)5-2;2*1-2/h4-5H,1-2H2,3H3;2*1-2H3.
What are the key properties of 1,5-bis(ethenyl)-3-methyl-1,2,4-triazole;ethane?
1,5-bis(ethenyl)-3-methyl-1,2,4-triazole;ethane has a molecular weight of 195.31 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-bis(ethenyl)-3-methyl-1,2,4-triazole;ethane is sourced from PubChem (CID 145327278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).