(Z)-1-cyclohexyl-N-(1,2,4-triazol-4-yl)methanimine

C9H14N4 — CID 6256965

IUPAC(Z)-1-cyclohexyl-N-(1,2,4-triazol-4-yl)methanimine
SMILESC(=N\n1cnnc1)\C1CCCCC1
InChIInChI=1S/C9H14N4/c1-2-4-9(5-3-1)6-12-13-7-10-11-8-13/h6-9H,1-5H2/b12-6-
InChIKeyWGDYMCOUCSRPEO-SDQBBNPISA-N
MW178.24 g/mol
LogP1.69
Rot. Bonds2

About (Z)-1-cyclohexyl-N-(1,2,4-triazol-4-yl)methanimine

(Z)-1-cyclohexyl-N-(1,2,4-triazol-4-yl)methanimine (PubChem CID 6256965) has the molecular formula C9H14N4 and a molecular weight of 178.24 g/mol. Its IUPAC name is (Z)-1-cyclohexyl-N-(1,2,4-triazol-4-yl)methanimine.

Molecular Properties

Compound Name(Z)-1-cyclohexyl-N-(1,2,4-triazol-4-yl)methanimine
PubChem CID6256965
Molecular FormulaC9H14N4
Molecular Weight178.24 g/mol
Exact Mass178.12
IUPAC Name(Z)-1-cyclohexyl-N-(1,2,4-triazol-4-yl)methanimine
SMILESC(=N\n1cnnc1)\C1CCCCC1
InChIInChI=1S/C9H14N4/c1-2-4-9(5-3-1)6-12-13-7-10-11-8-13/h6-9H,1-5H2/b12-6-
InChIKeyWGDYMCOUCSRPEO-SDQBBNPISA-N
XLogP1.69
TPSA43.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-cyclohexyl-N-(1,2,4-triazol-4-yl)methanimine?
The IUPAC name of (Z)-1-cyclohexyl-N-(1,2,4-triazol-4-yl)methanimine (CID 6256965) is (Z)-1-cyclohexyl-N-(1,2,4-triazol-4-yl)methanimine.
What is the SMILES notation for (Z)-1-cyclohexyl-N-(1,2,4-triazol-4-yl)methanimine?
The canonical SMILES for (Z)-1-cyclohexyl-N-(1,2,4-triazol-4-yl)methanimine is C(=N\n1cnnc1)\C1CCCCC1.
What is the InChIKey of (Z)-1-cyclohexyl-N-(1,2,4-triazol-4-yl)methanimine?
The InChIKey is WGDYMCOUCSRPEO-SDQBBNPISA-N. The full InChI is InChI=1S/C9H14N4/c1-2-4-9(5-3-1)6-12-13-7-10-11-8-13/h6-9H,1-5H2/b12-6-.
What are the key properties of (Z)-1-cyclohexyl-N-(1,2,4-triazol-4-yl)methanimine?
(Z)-1-cyclohexyl-N-(1,2,4-triazol-4-yl)methanimine has a molecular weight of 178.24 g/mol, XLogP of 1.69, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-cyclohexyl-N-(1,2,4-triazol-4-yl)methanimine is sourced from PubChem (CID 6256965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).