5-[(Z)-prop-1-enyl]-1-prop-1-en-2-yl-1,2,4-triazole

C8H11N3 — CID 166089411

IUPAC5-[(Z)-prop-1-enyl]-1-prop-1-en-2-yl-1,2,4-triazole
SMILESC=C(C)n1ncnc1/C=C\C
InChIInChI=1S/C8H11N3/c1-4-5-8-9-6-10-11(8)7(2)3/h4-6H,2H2,1,3H3/b5-4-
InChIKeyVYLZBDGVPZQZFW-PLNGDYQASA-N
MW149.20 g/mol
LogP1.80
Rot. Bonds2

About 5-[(Z)-prop-1-enyl]-1-prop-1-en-2-yl-1,2,4-triazole

5-[(Z)-prop-1-enyl]-1-prop-1-en-2-yl-1,2,4-triazole (PubChem CID 166089411) has the molecular formula C8H11N3 and a molecular weight of 149.20 g/mol. Its IUPAC name is 5-[(Z)-prop-1-enyl]-1-prop-1-en-2-yl-1,2,4-triazole.

Molecular Properties

Compound Name5-[(Z)-prop-1-enyl]-1-prop-1-en-2-yl-1,2,4-triazole
PubChem CID166089411
Molecular FormulaC8H11N3
Molecular Weight149.20 g/mol
Exact Mass149.10
IUPAC Name5-[(Z)-prop-1-enyl]-1-prop-1-en-2-yl-1,2,4-triazole
SMILESC=C(C)n1ncnc1/C=C\C
InChIInChI=1S/C8H11N3/c1-4-5-8-9-6-10-11(8)7(2)3/h4-6H,2H2,1,3H3/b5-4-
InChIKeyVYLZBDGVPZQZFW-PLNGDYQASA-N
XLogP1.80
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.20
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-[(Z)-prop-1-enyl]-1-prop-1-en-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

lithium 5H-[1,2,4]triazolo[1,5-a]pyridin-5-ide
CID 134971062
5H-pyrrolo[1,2-b][1,2,4]triazole
CID 22630677
1-methyl-5-[(E)-prop-1-enyl]-1,2,4-triazole
CID 56977342
1-methyl-3-[(E)-prop-1-enyl]-1,2,4-triazole
CID 57246645
5-Methyl-1-phenyl-1,2,4-triazole;platinum
CID 58162916
Lithium 5-methyl-1-phenyl-1,2,4-triazole
CID 58162954
1,5-Bis(ethenyl)-3-methyl-1,2,4-triazole
CID 70225297
5-ethenyl-1-ethyl-1H-1,2,4-triazole
CID 71651539
6-bromo-7-methyl-5H-[1,2,4]triazolo[1,5-c]pyrimidine
CID 87139281
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
5-Ethenyl-1-methyl-1,2,4-triazole
CID 115011042

Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-prop-1-enyl]-1-prop-1-en-2-yl-1,2,4-triazole?
The IUPAC name of 5-[(Z)-prop-1-enyl]-1-prop-1-en-2-yl-1,2,4-triazole (CID 166089411) is 5-[(Z)-prop-1-enyl]-1-prop-1-en-2-yl-1,2,4-triazole.
What is the SMILES notation for 5-[(Z)-prop-1-enyl]-1-prop-1-en-2-yl-1,2,4-triazole?
The canonical SMILES for 5-[(Z)-prop-1-enyl]-1-prop-1-en-2-yl-1,2,4-triazole is C=C(C)n1ncnc1/C=C\C.
What is the InChIKey of 5-[(Z)-prop-1-enyl]-1-prop-1-en-2-yl-1,2,4-triazole?
The InChIKey is VYLZBDGVPZQZFW-PLNGDYQASA-N. The full InChI is InChI=1S/C8H11N3/c1-4-5-8-9-6-10-11(8)7(2)3/h4-6H,2H2,1,3H3/b5-4-.
What are the key properties of 5-[(Z)-prop-1-enyl]-1-prop-1-en-2-yl-1,2,4-triazole?
5-[(Z)-prop-1-enyl]-1-prop-1-en-2-yl-1,2,4-triazole has a molecular weight of 149.20 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-prop-1-enyl]-1-prop-1-en-2-yl-1,2,4-triazole is sourced from PubChem (CID 166089411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).