(Z)-N-(1,2,4-triazol-4-yl)-1-[(1R,2S,6R)-2,4,6-trimethylcyclohex-3-en-1-yl]methanimine

C12H18N4 — CID 11880718

IUPAC(Z)-N-(1,2,4-triazol-4-yl)-1-[(1R,2S,6R)-2,4,6-trimethylcyclohex-3-en-1-yl]methanimine
SMILESCC1=C[C@H](C)[C@H](C=Nn2cnnc2)[C@H](C)C1
InChIInChI=1S/C12H18N4/c1-9-4-10(2)12(11(3)5-9)6-15-16-7-13-14-8-16/h4,6-8,10-12H,5H2,1-3H3/t10-,11+,12-/m0/s1
InChIKeyUAUNHPQNZAJKTA-TUAOUCFPSA-N
MW218.30 g/mol
LogP2.35
Rot. Bonds2

About (Z)-N-(1,2,4-triazol-4-yl)-1-[(1R,2S,6R)-2,4,6-trimethylcyclohex-3-en-1-yl]methanimine

(Z)-N-(1,2,4-triazol-4-yl)-1-[(1R,2S,6R)-2,4,6-trimethylcyclohex-3-en-1-yl]methanimine (PubChem CID 11880718) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is (Z)-N-(1,2,4-triazol-4-yl)-1-[(1R,2S,6R)-2,4,6-trimethylcyclohex-3-en-1-yl]methanimine.

Molecular Properties

Compound Name(Z)-N-(1,2,4-triazol-4-yl)-1-[(1R,2S,6R)-2,4,6-trimethylcyclohex-3-en-1-yl]methanimine
PubChem CID11880718
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC Name(Z)-N-(1,2,4-triazol-4-yl)-1-[(1R,2S,6R)-2,4,6-trimethylcyclohex-3-en-1-yl]methanimine
SMILESCC1=C[C@H](C)[C@H](C=Nn2cnnc2)[C@H](C)C1
InChIInChI=1S/C12H18N4/c1-9-4-10(2)12(11(3)5-9)6-15-16-7-13-14-8-16/h4,6-8,10-12H,5H2,1-3H3/t10-,11+,12-/m0/s1
InChIKeyUAUNHPQNZAJKTA-TUAOUCFPSA-N
XLogP2.35
TPSA43.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (Z)-N-(1,2,4-triazol-4-yl)-1-[(1R,2S,6R)-2,4,6-trimethylcyclohex-3-en-1-yl]methanimine 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

(1S,2S,6S)-2,4,6-trimethylcyclohex-3-ene-1-carbaldehyde
CID 7373245
8-methoxy-3-[(2,4,6-trimethylcyclohex-3-en-1-yl)methylideneamino]-5H-pyrimido[5,4-b]indol-4-one
CID 3730076
8-methyl-3-[(Z)-[(1R,2S,6R)-2,4,6-trimethylcyclohex-3-en-1-yl]methylideneamino]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione
CID 7368056
1,3,4,5-tetramethylcyclohexene
CID 12751050
butan-2-one;2,4,6-trimethylcyclohex-3-ene-1-carbaldehyde
CID 133065506
trimethyl-[[(1R,2R,6R)-2,4,6-trimethylcyclohex-3-en-1-yl]methyl]azanium
CID 11891418
(3S,4R,5R)-4-azido-1,3,5-trimethylcyclohexene
CID 58150819
(1R,2R,6R)-2,4,6-trimethylcyclohex-3-ene-1-carbonitrile
CID 11899238
(Z)-1-(4-propan-2-ylphenyl)-N-(1,2,4-triazol-4-yl)methanimine
CID 5403379
N,N-dimethyl-1-[(1S,2S,6S)-2,4,6-trimethylcyclohex-3-en-1-yl]methanamine
CID 98157758
N,N-dimethyl-1-[(1R,2R,6R)-2,4,6-trimethylcyclohex-3-en-1-yl]methanamine
CID 40543075
N-methyl-1-[(1S,2R,6S)-2,4,6-trimethylcyclohex-3-en-1-yl]methanamine
CID 7302881

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(1,2,4-triazol-4-yl)-1-[(1R,2S,6R)-2,4,6-trimethylcyclohex-3-en-1-yl]methanimine?
The IUPAC name of (Z)-N-(1,2,4-triazol-4-yl)-1-[(1R,2S,6R)-2,4,6-trimethylcyclohex-3-en-1-yl]methanimine (CID 11880718) is (Z)-N-(1,2,4-triazol-4-yl)-1-[(1R,2S,6R)-2,4,6-trimethylcyclohex-3-en-1-yl]methanimine.
What is the SMILES notation for (Z)-N-(1,2,4-triazol-4-yl)-1-[(1R,2S,6R)-2,4,6-trimethylcyclohex-3-en-1-yl]methanimine?
The canonical SMILES for (Z)-N-(1,2,4-triazol-4-yl)-1-[(1R,2S,6R)-2,4,6-trimethylcyclohex-3-en-1-yl]methanimine is CC1=C[C@H](C)[C@H](C=Nn2cnnc2)[C@H](C)C1.
What is the InChIKey of (Z)-N-(1,2,4-triazol-4-yl)-1-[(1R,2S,6R)-2,4,6-trimethylcyclohex-3-en-1-yl]methanimine?
The InChIKey is UAUNHPQNZAJKTA-TUAOUCFPSA-N. The full InChI is InChI=1S/C12H18N4/c1-9-4-10(2)12(11(3)5-9)6-15-16-7-13-14-8-16/h4,6-8,10-12H,5H2,1-3H3/t10-,11+,12-/m0/s1.
What are the key properties of (Z)-N-(1,2,4-triazol-4-yl)-1-[(1R,2S,6R)-2,4,6-trimethylcyclohex-3-en-1-yl]methanimine?
(Z)-N-(1,2,4-triazol-4-yl)-1-[(1R,2S,6R)-2,4,6-trimethylcyclohex-3-en-1-yl]methanimine has a molecular weight of 218.30 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(1,2,4-triazol-4-yl)-1-[(1R,2S,6R)-2,4,6-trimethylcyclohex-3-en-1-yl]methanimine is sourced from PubChem (CID 11880718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).