1,5-bis(ethenyl)-3-propan-2-yl-1,2,4-triazole

C9H13N3 — CID 165134546

IUPAC1,5-bis(ethenyl)-3-propan-2-yl-1,2,4-triazole
SMILESC=Cc1nc(C(C)C)nn1C=C
InChIInChI=1S/C9H13N3/c1-5-8-10-9(7(3)4)11-12(8)6-2/h5-7H,1-2H2,3-4H3
InChIKeyUWTMNIHVYIXAKO-UHFFFAOYSA-N
MW163.22 g/mol
LogP2.14
Rot. Bonds3

About 1,5-bis(ethenyl)-3-propan-2-yl-1,2,4-triazole

1,5-bis(ethenyl)-3-propan-2-yl-1,2,4-triazole (PubChem CID 165134546) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is 1,5-bis(ethenyl)-3-propan-2-yl-1,2,4-triazole.

Molecular Properties

Compound Name1,5-bis(ethenyl)-3-propan-2-yl-1,2,4-triazole
PubChem CID165134546
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Name1,5-bis(ethenyl)-3-propan-2-yl-1,2,4-triazole
SMILESC=Cc1nc(C(C)C)nn1C=C
InChIInChI=1S/C9H13N3/c1-5-8-10-9(7(3)4)11-12(8)6-2/h5-7H,1-2H2,3-4H3
InChIKeyUWTMNIHVYIXAKO-UHFFFAOYSA-N
XLogP2.14
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1,5-bis(ethenyl)-3-propan-2-yl-1,2,4-triazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Ethenyl-3,5-dimethyl-1H-1,2,4-triazole
CID 15696005
2,6,7-trimethyl-5H-pyrrolo[1,2-b][1,2,4]triazole
CID 20650442
3,4-diethyl-5-[(E)-prop-1-enyl]-1,2,4-triazole
CID 57189602
1-Ethyl-3-methyl-5-propan-2-yl-1,2,4-triazole
CID 58204298
1-Ethenyl-5-propan-2-yl-1,2,4-triazole
CID 58336971
3-propan-2-yl-5H-pyrrolo[2,1-c][1,2,4]triazole
CID 58783642
1,5-Bis(ethenyl)-3-methyl-1,2,4-triazole
CID 70225297
5-ethenyl-1-ethyl-1H-1,2,4-triazole
CID 71651539
2,8-Dimethyl-7,8-dihydro-[1,2,4]triazolo[1,5-a]pyridine
CID 89603927
5-ethenyl-1-[(Z)-prop-1-enyl]-1,2,4-triazole
CID 90201343
1-But-2-enyl-3,5-dimethyl-1,2,4-triazole
CID 91278220
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-propan-2-yl-1,2,4-triazole?
The IUPAC name of 1,5-bis(ethenyl)-3-propan-2-yl-1,2,4-triazole (CID 165134546) is 1,5-bis(ethenyl)-3-propan-2-yl-1,2,4-triazole.
What is the SMILES notation for 1,5-bis(ethenyl)-3-propan-2-yl-1,2,4-triazole?
The canonical SMILES for 1,5-bis(ethenyl)-3-propan-2-yl-1,2,4-triazole is C=Cc1nc(C(C)C)nn1C=C.
What is the InChIKey of 1,5-bis(ethenyl)-3-propan-2-yl-1,2,4-triazole?
The InChIKey is UWTMNIHVYIXAKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3/c1-5-8-10-9(7(3)4)11-12(8)6-2/h5-7H,1-2H2,3-4H3.
What are the key properties of 1,5-bis(ethenyl)-3-propan-2-yl-1,2,4-triazole?
1,5-bis(ethenyl)-3-propan-2-yl-1,2,4-triazole has a molecular weight of 163.22 g/mol, XLogP of 2.14, 3 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-propan-2-yl-1,2,4-triazole is sourced from PubChem (CID 165134546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).