[2-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]cyclohexyl]methanol

C12H16ClN5O — CID 114179137

IUPAC[2-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]cyclohexyl]methanol
SMILESOCC1CCCCC1Nc1cc(Cl)nc2ncnn12
InChIInChI=1S/C12H16ClN5O/c13-10-5-11(18-12(17-10)14-7-15-18)16-9-4-2-1-3-8(9)6-19/h5,7-9,16,19H,1-4,6H2
InChIKeyFTOKIOVGCNECTP-UHFFFAOYSA-N
MW281.75 g/mol
LogP1.74
Rot. Bonds3

About [2-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]cyclohexyl]methanol

[2-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]cyclohexyl]methanol (PubChem CID 114179137) has the molecular formula C12H16ClN5O and a molecular weight of 281.75 g/mol. Its IUPAC name is [2-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]cyclohexyl]methanol.

Molecular Properties

Compound Name[2-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]cyclohexyl]methanol
PubChem CID114179137
Molecular FormulaC12H16ClN5O
Molecular Weight281.75 g/mol
Exact Mass281.10
IUPAC Name[2-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]cyclohexyl]methanol
SMILESOCC1CCCCC1Nc1cc(Cl)nc2ncnn12
InChIInChI=1S/C12H16ClN5O/c13-10-5-11(18-12(17-10)14-7-15-18)16-9-4-2-1-3-8(9)6-19/h5,7-9,16,19H,1-4,6H2
InChIKeyFTOKIOVGCNECTP-UHFFFAOYSA-N
XLogP1.74
TPSA75.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.75
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]cyclohexyl]methanol 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 [2-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]cyclohexyl]methanol?
The IUPAC name of [2-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]cyclohexyl]methanol (CID 114179137) is [2-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]cyclohexyl]methanol.
What is the SMILES notation for [2-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]cyclohexyl]methanol?
The canonical SMILES for [2-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]cyclohexyl]methanol is OCC1CCCCC1Nc1cc(Cl)nc2ncnn12.
What is the InChIKey of [2-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]cyclohexyl]methanol?
The InChIKey is FTOKIOVGCNECTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN5O/c13-10-5-11(18-12(17-10)14-7-15-18)16-9-4-2-1-3-8(9)6-19/h5,7-9,16,19H,1-4,6H2.
What are the key properties of [2-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]cyclohexyl]methanol?
[2-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]cyclohexyl]methanol has a molecular weight of 281.75 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]cyclohexyl]methanol is sourced from PubChem (CID 114179137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).