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

C9H12Cl2N4O — CID 81037628

IUPAC2-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]cyclohexan-1-ol
SMILESOC1CCCCC1Nc1nc(Cl)nnc1Cl
InChIInChI=1S/C9H12Cl2N4O/c10-7-8(13-9(11)15-14-7)12-5-3-1-2-4-6(5)16/h5-6,16H,1-4H2,(H,12,13,15)
InChIKeyKZNPXQWNBPGJRU-UHFFFAOYSA-N
MW263.13 g/mol
LogP1.89
Rot. Bonds2

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

2-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]cyclohexan-1-ol (PubChem CID 81037628) has the molecular formula C9H12Cl2N4O and a molecular weight of 263.13 g/mol. Its IUPAC name is 2-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]cyclohexan-1-ol
PubChem CID81037628
Molecular FormulaC9H12Cl2N4O
Molecular Weight263.13 g/mol
Exact Mass262.04
IUPAC Name2-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]cyclohexan-1-ol
SMILESOC1CCCCC1Nc1nc(Cl)nnc1Cl
InChIInChI=1S/C9H12Cl2N4O/c10-7-8(13-9(11)15-14-7)12-5-3-1-2-4-6(5)16/h5-6,16H,1-4H2,(H,12,13,15)
InChIKeyKZNPXQWNBPGJRU-UHFFFAOYSA-N
XLogP1.89
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.13
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]cyclohexan-1-ol?
The IUPAC name of 2-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]cyclohexan-1-ol (CID 81037628) is 2-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]cyclohexan-1-ol.
What is the SMILES notation for 2-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]cyclohexan-1-ol?
The canonical SMILES for 2-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]cyclohexan-1-ol is OC1CCCCC1Nc1nc(Cl)nnc1Cl.
What is the InChIKey of 2-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]cyclohexan-1-ol?
The InChIKey is KZNPXQWNBPGJRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12Cl2N4O/c10-7-8(13-9(11)15-14-7)12-5-3-1-2-4-6(5)16/h5-6,16H,1-4H2,(H,12,13,15).
What are the key properties of 2-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]cyclohexan-1-ol?
2-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]cyclohexan-1-ol has a molecular weight of 263.13 g/mol, XLogP of 1.89, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]cyclohexan-1-ol is sourced from PubChem (CID 81037628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).