6-chloro-2-cyclohex-2-en-1-yl-4-cyclohex-3-en-1-yl-1,2,3,4-tetrahydro-1,3,5-triazine

C15H22ClN3 — CID 163776105

IUPAC6-chloro-2-cyclohex-2-en-1-yl-4-cyclohex-3-en-1-yl-1,2,3,4-tetrahydro-1,3,5-triazine
SMILESClC1=NC(C2CC=CCC2)NC(C2C=CCCC2)N1
InChIInChI=1S/C15H22ClN3/c16-15-18-13(11-7-3-1-4-8-11)17-14(19-15)12-9-5-2-6-10-12/h1,3,5,9,11-14,17H,2,4,6-8,10H2,(H,18,19)
InChIKeyMKPWZPOFTOAERO-UHFFFAOYSA-N
MW279.81 g/mol
LogP3.14
Rot. Bonds2

About 6-chloro-2-cyclohex-2-en-1-yl-4-cyclohex-3-en-1-yl-1,2,3,4-tetrahydro-1,3,5-triazine

6-chloro-2-cyclohex-2-en-1-yl-4-cyclohex-3-en-1-yl-1,2,3,4-tetrahydro-1,3,5-triazine (PubChem CID 163776105) has the molecular formula C15H22ClN3 and a molecular weight of 279.81 g/mol. Its IUPAC name is 6-chloro-2-cyclohex-2-en-1-yl-4-cyclohex-3-en-1-yl-1,2,3,4-tetrahydro-1,3,5-triazine.

Molecular Properties

Compound Name6-chloro-2-cyclohex-2-en-1-yl-4-cyclohex-3-en-1-yl-1,2,3,4-tetrahydro-1,3,5-triazine
PubChem CID163776105
Molecular FormulaC15H22ClN3
Molecular Weight279.81 g/mol
Exact Mass279.15
IUPAC Name6-chloro-2-cyclohex-2-en-1-yl-4-cyclohex-3-en-1-yl-1,2,3,4-tetrahydro-1,3,5-triazine
SMILESClC1=NC(C2CC=CCC2)NC(C2C=CCCC2)N1
InChIInChI=1S/C15H22ClN3/c16-15-18-13(11-7-3-1-4-8-11)17-14(19-15)12-9-5-2-6-10-12/h1,3,5,9,11-14,17H,2,4,6-8,10H2,(H,18,19)
InChIKeyMKPWZPOFTOAERO-UHFFFAOYSA-N
XLogP3.14
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.81
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze 6-chloro-2-cyclohex-2-en-1-yl-4-cyclohex-3-en-1-yl-1,2,3,4-tetrahydro-1,3,5-triazine with MolForge

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Launch Full Analysis

Related Compounds

N'-[cyclohex-2-en-1-yl-(cyclohexen-1-ylamino)methyl]carbamimidoyl chloride
CID 173852911
2-cyclohex-3-en-1-yl-4-N,4-N-dimethyl-1,2-dihydro-1,3,5-triazine-4,6-diamine
CID 176537741
N-(cyclohex-3-en-1-ylmethyl)-4,5-dihydro-1H-imidazol-2-amine
CID 115601364
1-Tert-butyl-2-(cyclohex-3-en-1-ylmethyl)-3-ethylguanidine
CID 119116171
1-(Cyclohex-3-en-1-ylmethyl)-2-methyl-3-prop-2-enylguanidine;hydroiodide
CID 119116301
1-(Cyclohex-3-en-1-ylmethyl)-2-methyl-3-prop-2-enylguanidine
CID 119116302
2-(Cyclohex-3-en-1-ylmethyl)-1-ethyl-3-prop-2-enylguanidine;hydroiodide
CID 119116303
2-(Cyclohex-3-en-1-ylmethyl)-1-ethyl-3-prop-2-enylguanidine
CID 119116304
2-(Cyclohex-3-en-1-ylmethyl)-1-cyclohexylguanidine;hydroiodide
CID 119120108
2-(Cyclohex-3-en-1-ylmethyl)-1-cyclohexylguanidine
CID 119120109
1-(Cyclobutylmethyl)-2-(cyclohex-3-en-1-ylmethyl)guanidine;hydroiodide
CID 119120126
1-(Cyclobutylmethyl)-2-(cyclohex-3-en-1-ylmethyl)guanidine
CID 119120127

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-cyclohex-2-en-1-yl-4-cyclohex-3-en-1-yl-1,2,3,4-tetrahydro-1,3,5-triazine?
The IUPAC name of 6-chloro-2-cyclohex-2-en-1-yl-4-cyclohex-3-en-1-yl-1,2,3,4-tetrahydro-1,3,5-triazine (CID 163776105) is 6-chloro-2-cyclohex-2-en-1-yl-4-cyclohex-3-en-1-yl-1,2,3,4-tetrahydro-1,3,5-triazine.
What is the SMILES notation for 6-chloro-2-cyclohex-2-en-1-yl-4-cyclohex-3-en-1-yl-1,2,3,4-tetrahydro-1,3,5-triazine?
The canonical SMILES for 6-chloro-2-cyclohex-2-en-1-yl-4-cyclohex-3-en-1-yl-1,2,3,4-tetrahydro-1,3,5-triazine is ClC1=NC(C2CC=CCC2)NC(C2C=CCCC2)N1.
What is the InChIKey of 6-chloro-2-cyclohex-2-en-1-yl-4-cyclohex-3-en-1-yl-1,2,3,4-tetrahydro-1,3,5-triazine?
The InChIKey is MKPWZPOFTOAERO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3/c16-15-18-13(11-7-3-1-4-8-11)17-14(19-15)12-9-5-2-6-10-12/h1,3,5,9,11-14,17H,2,4,6-8,10H2,(H,18,19).
What are the key properties of 6-chloro-2-cyclohex-2-en-1-yl-4-cyclohex-3-en-1-yl-1,2,3,4-tetrahydro-1,3,5-triazine?
6-chloro-2-cyclohex-2-en-1-yl-4-cyclohex-3-en-1-yl-1,2,3,4-tetrahydro-1,3,5-triazine has a molecular weight of 279.81 g/mol, XLogP of 3.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-cyclohex-2-en-1-yl-4-cyclohex-3-en-1-yl-1,2,3,4-tetrahydro-1,3,5-triazine is sourced from PubChem (CID 163776105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).