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

C10H14Cl2N4O — CID 65109141

IUPAC1-[[(4,6-dichloro-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol
SMILESOC1(CNc2nc(Cl)nc(Cl)n2)CCCCC1
InChIInChI=1S/C10H14Cl2N4O/c11-7-14-8(12)16-9(15-7)13-6-10(17)4-2-1-3-5-10/h17H,1-6H2,(H,13,14,15,16)
InChIKeyIYWWGZDNGWXZKU-UHFFFAOYSA-N
MW277.15 g/mol
LogP2.29
Rot. Bonds3

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

1-[[(4,6-dichloro-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol (PubChem CID 65109141) has the molecular formula C10H14Cl2N4O and a molecular weight of 277.15 g/mol. Its IUPAC name is 1-[[(4,6-dichloro-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[(4,6-dichloro-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol
PubChem CID65109141
Molecular FormulaC10H14Cl2N4O
Molecular Weight277.15 g/mol
Exact Mass276.05
IUPAC Name1-[[(4,6-dichloro-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol
SMILESOC1(CNc2nc(Cl)nc(Cl)n2)CCCCC1
InChIInChI=1S/C10H14Cl2N4O/c11-7-14-8(12)16-9(15-7)13-6-10(17)4-2-1-3-5-10/h17H,1-6H2,(H,13,14,15,16)
InChIKeyIYWWGZDNGWXZKU-UHFFFAOYSA-N
XLogP2.29
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.15
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[(4,6-dichloro-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[(4,6-dichloro-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol (CID 65109141) is 1-[[(4,6-dichloro-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[(4,6-dichloro-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[(4,6-dichloro-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol is OC1(CNc2nc(Cl)nc(Cl)n2)CCCCC1.
What is the InChIKey of 1-[[(4,6-dichloro-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol?
The InChIKey is IYWWGZDNGWXZKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Cl2N4O/c11-7-14-8(12)16-9(15-7)13-6-10(17)4-2-1-3-5-10/h17H,1-6H2,(H,13,14,15,16).
What are the key properties of 1-[[(4,6-dichloro-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol?
1-[[(4,6-dichloro-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol has a molecular weight of 277.15 g/mol, XLogP of 2.29, 3 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]cyclohexan-1-ol is sourced from PubChem (CID 65109141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).