1-[[(4,6-dichloro-1,3,5-triazin-2-yl)amino]methyl]-4-ethylcyclohexan-1-ol

C12H18Cl2N4O — CID 65122923

IUPAC1-[[(4,6-dichloro-1,3,5-triazin-2-yl)amino]methyl]-4-ethylcyclohexan-1-ol
SMILESCCC1CCC(O)(CNc2nc(Cl)nc(Cl)n2)CC1
InChIInChI=1S/C12H18Cl2N4O/c1-2-8-3-5-12(19,6-4-8)7-15-11-17-9(13)16-10(14)18-11/h8,19H,2-7H2,1H3,(H,15,16,17,18)
InChIKeyBGFIGJQWWFGZSV-UHFFFAOYSA-N
MW305.21 g/mol
LogP2.92
Rot. Bonds4

About 1-[[(4,6-dichloro-1,3,5-triazin-2-yl)amino]methyl]-4-ethylcyclohexan-1-ol

1-[[(4,6-dichloro-1,3,5-triazin-2-yl)amino]methyl]-4-ethylcyclohexan-1-ol (PubChem CID 65122923) has the molecular formula C12H18Cl2N4O and a molecular weight of 305.21 g/mol. Its IUPAC name is 1-[[(4,6-dichloro-1,3,5-triazin-2-yl)amino]methyl]-4-ethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[[(4,6-dichloro-1,3,5-triazin-2-yl)amino]methyl]-4-ethylcyclohexan-1-ol
PubChem CID65122923
Molecular FormulaC12H18Cl2N4O
Molecular Weight305.21 g/mol
Exact Mass304.09
IUPAC Name1-[[(4,6-dichloro-1,3,5-triazin-2-yl)amino]methyl]-4-ethylcyclohexan-1-ol
SMILESCCC1CCC(O)(CNc2nc(Cl)nc(Cl)n2)CC1
InChIInChI=1S/C12H18Cl2N4O/c1-2-8-3-5-12(19,6-4-8)7-15-11-17-9(13)16-10(14)18-11/h8,19H,2-7H2,1H3,(H,15,16,17,18)
InChIKeyBGFIGJQWWFGZSV-UHFFFAOYSA-N
XLogP2.92
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.21
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[[(4,6-dichloro-1,3,5-triazin-2-yl)amino]methyl]-4-ethylcyclohexan-1-ol 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 1-[[(4,6-dichloro-1,3,5-triazin-2-yl)amino]methyl]-4-ethylcyclohexan-1-ol?
The IUPAC name of 1-[[(4,6-dichloro-1,3,5-triazin-2-yl)amino]methyl]-4-ethylcyclohexan-1-ol (CID 65122923) is 1-[[(4,6-dichloro-1,3,5-triazin-2-yl)amino]methyl]-4-ethylcyclohexan-1-ol.
What is the SMILES notation for 1-[[(4,6-dichloro-1,3,5-triazin-2-yl)amino]methyl]-4-ethylcyclohexan-1-ol?
The canonical SMILES for 1-[[(4,6-dichloro-1,3,5-triazin-2-yl)amino]methyl]-4-ethylcyclohexan-1-ol is CCC1CCC(O)(CNc2nc(Cl)nc(Cl)n2)CC1.
What is the InChIKey of 1-[[(4,6-dichloro-1,3,5-triazin-2-yl)amino]methyl]-4-ethylcyclohexan-1-ol?
The InChIKey is BGFIGJQWWFGZSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18Cl2N4O/c1-2-8-3-5-12(19,6-4-8)7-15-11-17-9(13)16-10(14)18-11/h8,19H,2-7H2,1H3,(H,15,16,17,18).
What are the key properties of 1-[[(4,6-dichloro-1,3,5-triazin-2-yl)amino]methyl]-4-ethylcyclohexan-1-ol?
1-[[(4,6-dichloro-1,3,5-triazin-2-yl)amino]methyl]-4-ethylcyclohexan-1-ol has a molecular weight of 305.21 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(4,6-dichloro-1,3,5-triazin-2-yl)amino]methyl]-4-ethylcyclohexan-1-ol is sourced from PubChem (CID 65122923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).