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

C10H14Cl2N4O — CID 64912738

IUPAC2-[[(4,6-dichloro-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol
SMILESOC1CCCCC1CNc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C10H14Cl2N4O/c11-8-14-9(12)16-10(15-8)13-5-6-3-1-2-4-7(6)17/h6-7,17H,1-5H2,(H,13,14,15,16)
InChIKeyDNMPJNKXYCNBTH-UHFFFAOYSA-N
MW277.15 g/mol
LogP2.14
Rot. Bonds3

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

2-[[(4,6-dichloro-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol (PubChem CID 64912738) has the molecular formula C10H14Cl2N4O and a molecular weight of 277.15 g/mol. Its IUPAC name is 2-[[(4,6-dichloro-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[(4,6-dichloro-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol
PubChem CID64912738
Molecular FormulaC10H14Cl2N4O
Molecular Weight277.15 g/mol
Exact Mass276.05
IUPAC Name2-[[(4,6-dichloro-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol
SMILESOC1CCCCC1CNc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C10H14Cl2N4O/c11-8-14-9(12)16-10(15-8)13-5-6-3-1-2-4-7(6)17/h6-7,17H,1-5H2,(H,13,14,15,16)
InChIKeyDNMPJNKXYCNBTH-UHFFFAOYSA-N
XLogP2.14
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 ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[(4,6-dichloro-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 2-[[(4,6-dichloro-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol (CID 64912738) is 2-[[(4,6-dichloro-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[[(4,6-dichloro-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 2-[[(4,6-dichloro-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol is OC1CCCCC1CNc1nc(Cl)nc(Cl)n1.
What is the InChIKey of 2-[[(4,6-dichloro-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol?
The InChIKey is DNMPJNKXYCNBTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Cl2N4O/c11-8-14-9(12)16-10(15-8)13-5-6-3-1-2-4-7(6)17/h6-7,17H,1-5H2,(H,13,14,15,16).
What are the key properties of 2-[[(4,6-dichloro-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol?
2-[[(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 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4,6-dichloro-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 64912738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).