4-(4-methylpent-1-en-2-yl)-3-[(Z)-prop-1-enyl]-1,2,4-triazole

C11H17N3 — CID 131974317

IUPAC4-(4-methylpent-1-en-2-yl)-3-[(Z)-prop-1-enyl]-1,2,4-triazole
SMILESC=C(CC(C)C)n1cnnc1/C=C\C
InChIInChI=1S/C11H17N3/c1-5-6-11-13-12-8-14(11)10(4)7-9(2)3/h5-6,8-9H,4,7H2,1-3H3/b6-5-
InChIKeyPHIZUIMRNNKVGG-WAYWQWQTSA-N
MW191.28 g/mol
LogP2.83
Rot. Bonds4

About 4-(4-methylpent-1-en-2-yl)-3-[(Z)-prop-1-enyl]-1,2,4-triazole

4-(4-methylpent-1-en-2-yl)-3-[(Z)-prop-1-enyl]-1,2,4-triazole (PubChem CID 131974317) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is 4-(4-methylpent-1-en-2-yl)-3-[(Z)-prop-1-enyl]-1,2,4-triazole.

Molecular Properties

Compound Name4-(4-methylpent-1-en-2-yl)-3-[(Z)-prop-1-enyl]-1,2,4-triazole
PubChem CID131974317
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name4-(4-methylpent-1-en-2-yl)-3-[(Z)-prop-1-enyl]-1,2,4-triazole
SMILESC=C(CC(C)C)n1cnnc1/C=C\C
InChIInChI=1S/C11H17N3/c1-5-6-11-13-12-8-14(11)10(4)7-9(2)3/h5-6,8-9H,4,7H2,1-3H3/b6-5-
InChIKeyPHIZUIMRNNKVGG-WAYWQWQTSA-N
XLogP2.83
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(4-methylpent-1-en-2-yl)-3-[(Z)-prop-1-enyl]-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

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpent-1-en-2-yl)-3-[(Z)-prop-1-enyl]-1,2,4-triazole?
The IUPAC name of 4-(4-methylpent-1-en-2-yl)-3-[(Z)-prop-1-enyl]-1,2,4-triazole (CID 131974317) is 4-(4-methylpent-1-en-2-yl)-3-[(Z)-prop-1-enyl]-1,2,4-triazole.
What is the SMILES notation for 4-(4-methylpent-1-en-2-yl)-3-[(Z)-prop-1-enyl]-1,2,4-triazole?
The canonical SMILES for 4-(4-methylpent-1-en-2-yl)-3-[(Z)-prop-1-enyl]-1,2,4-triazole is C=C(CC(C)C)n1cnnc1/C=C\C.
What is the InChIKey of 4-(4-methylpent-1-en-2-yl)-3-[(Z)-prop-1-enyl]-1,2,4-triazole?
The InChIKey is PHIZUIMRNNKVGG-WAYWQWQTSA-N. The full InChI is InChI=1S/C11H17N3/c1-5-6-11-13-12-8-14(11)10(4)7-9(2)3/h5-6,8-9H,4,7H2,1-3H3/b6-5-.
What are the key properties of 4-(4-methylpent-1-en-2-yl)-3-[(Z)-prop-1-enyl]-1,2,4-triazole?
4-(4-methylpent-1-en-2-yl)-3-[(Z)-prop-1-enyl]-1,2,4-triazole has a molecular weight of 191.28 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpent-1-en-2-yl)-3-[(Z)-prop-1-enyl]-1,2,4-triazole is sourced from PubChem (CID 131974317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).