(Z)-N-[4-[[1-(4-chlorophenyl)triazol-4-yl]methyl]piperazin-1-yl]ethanimine

C15H19ClN6 — CID 70951101

IUPAC(Z)-N-[4-[[1-(4-chlorophenyl)triazol-4-yl]methyl]piperazin-1-yl]ethanimine
SMILESC/C=N\N1CCN(Cc2cn(-c3ccc(Cl)cc3)nn2)CC1
InChIInChI=1S/C15H19ClN6/c1-2-17-21-9-7-20(8-10-21)11-14-12-22(19-18-14)15-5-3-13(16)4-6-15/h2-6,12H,7-11H2,1H3/b17-2-
InChIKeyOEMFKMLCFKQALA-LILWFEGDSA-N
MW318.81 g/mol
LogP2.04
Rot. Bonds4

About (Z)-N-[4-[[1-(4-chlorophenyl)triazol-4-yl]methyl]piperazin-1-yl]ethanimine

(Z)-N-[4-[[1-(4-chlorophenyl)triazol-4-yl]methyl]piperazin-1-yl]ethanimine (PubChem CID 70951101) has the molecular formula C15H19ClN6 and a molecular weight of 318.81 g/mol. Its IUPAC name is (Z)-N-[4-[[1-(4-chlorophenyl)triazol-4-yl]methyl]piperazin-1-yl]ethanimine.

Molecular Properties

Compound Name(Z)-N-[4-[[1-(4-chlorophenyl)triazol-4-yl]methyl]piperazin-1-yl]ethanimine
PubChem CID70951101
Molecular FormulaC15H19ClN6
Molecular Weight318.81 g/mol
Exact Mass318.14
IUPAC Name(Z)-N-[4-[[1-(4-chlorophenyl)triazol-4-yl]methyl]piperazin-1-yl]ethanimine
SMILESC/C=N\N1CCN(Cc2cn(-c3ccc(Cl)cc3)nn2)CC1
InChIInChI=1S/C15H19ClN6/c1-2-17-21-9-7-20(8-10-21)11-14-12-22(19-18-14)15-5-3-13(16)4-6-15/h2-6,12H,7-11H2,1H3/b17-2-
InChIKeyOEMFKMLCFKQALA-LILWFEGDSA-N
XLogP2.04
TPSA49.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.81
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (Z)-N-[4-[[1-(4-chlorophenyl)triazol-4-yl]methyl]piperazin-1-yl]ethanimine 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-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120774498
1-[1-(4-chlorophenyl)triazol-4-yl]propan-2-one
CID 117167684
[1-(4-chlorophenyl)triazol-4-yl]methanamine;hydrochloride
CID 178201309
4-[[1-(3-chloro-4-fluorophenyl)triazol-4-yl]methyl]-1,4-thiazinane 1,1-dioxide
CID 75519922
N-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 66205851
1-[[1-(4-fluorophenyl)triazol-4-yl]methyl]piperazine
CID 117167709
5-chloro-1-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-2,3-dihydroindole
CID 155552818
1-[[1-(5-chloro-2-pyridinyl)triazol-4-yl]methyl]piperidin-4-ol
CID 139019651
1-(4-chlorophenyl)-4-[(2-propylimidazol-1-yl)methyl]triazole
CID 118870063
4-[4-(pyrrolidin-1-ylmethyl)triazol-1-yl]benzonitrile
CID 134912505
(2R)-1-[4-[(1-phenyltriazol-4-yl)methyl]piperazin-1-yl]propan-2-ol
CID 95610792
(2R)-1-[[1-(4-chlorophenyl)triazol-4-yl]methyl]pyrrolidine-2-carboxylic acid
CID 119914161

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[4-[[1-(4-chlorophenyl)triazol-4-yl]methyl]piperazin-1-yl]ethanimine?
The IUPAC name of (Z)-N-[4-[[1-(4-chlorophenyl)triazol-4-yl]methyl]piperazin-1-yl]ethanimine (CID 70951101) is (Z)-N-[4-[[1-(4-chlorophenyl)triazol-4-yl]methyl]piperazin-1-yl]ethanimine.
What is the SMILES notation for (Z)-N-[4-[[1-(4-chlorophenyl)triazol-4-yl]methyl]piperazin-1-yl]ethanimine?
The canonical SMILES for (Z)-N-[4-[[1-(4-chlorophenyl)triazol-4-yl]methyl]piperazin-1-yl]ethanimine is C/C=N\N1CCN(Cc2cn(-c3ccc(Cl)cc3)nn2)CC1.
What is the InChIKey of (Z)-N-[4-[[1-(4-chlorophenyl)triazol-4-yl]methyl]piperazin-1-yl]ethanimine?
The InChIKey is OEMFKMLCFKQALA-LILWFEGDSA-N. The full InChI is InChI=1S/C15H19ClN6/c1-2-17-21-9-7-20(8-10-21)11-14-12-22(19-18-14)15-5-3-13(16)4-6-15/h2-6,12H,7-11H2,1H3/b17-2-.
What are the key properties of (Z)-N-[4-[[1-(4-chlorophenyl)triazol-4-yl]methyl]piperazin-1-yl]ethanimine?
(Z)-N-[4-[[1-(4-chlorophenyl)triazol-4-yl]methyl]piperazin-1-yl]ethanimine has a molecular weight of 318.81 g/mol, XLogP of 2.04, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[4-[[1-(4-chlorophenyl)triazol-4-yl]methyl]piperazin-1-yl]ethanimine is sourced from PubChem (CID 70951101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).