cis-(1R,2S)-2-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]cyclohexan-1-ol

C10H15ClN4O — CID 171763522

IUPACcis-(1R,2S)-2-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]cyclohexan-1-ol
SMILESCc1nc(N[C@H]2CCCC[C@H]2O)nnc1Cl
InChIInChI=1S/C10H15ClN4O/c1-6-9(11)14-15-10(12-6)13-7-4-2-3-5-8(7)16/h7-8,16H,2-5H2,1H3,(H,12,13,15)/t7-,8+/m0/s1
InChIKeyOTGBVAPDBRZSIT-JGVFFNPUSA-N
MW242.71 g/mol
LogP1.55
Rot. Bonds2

About cis-(1R,2S)-2-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]cyclohexan-1-ol

cis-(1R,2S)-2-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]cyclohexan-1-ol (PubChem CID 171763522) has the molecular formula C10H15ClN4O and a molecular weight of 242.71 g/mol. Its IUPAC name is cis-(1R,2S)-2-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Namecis-(1R,2S)-2-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]cyclohexan-1-ol
PubChem CID171763522
Molecular FormulaC10H15ClN4O
Molecular Weight242.71 g/mol
Exact Mass242.09
IUPAC Namecis-(1R,2S)-2-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]cyclohexan-1-ol
SMILESCc1nc(N[C@H]2CCCC[C@H]2O)nnc1Cl
InChIInChI=1S/C10H15ClN4O/c1-6-9(11)14-15-10(12-6)13-7-4-2-3-5-8(7)16/h7-8,16H,2-5H2,1H3,(H,12,13,15)/t7-,8+/m0/s1
InChIKeyOTGBVAPDBRZSIT-JGVFFNPUSA-N
XLogP1.55
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze cis-(1R,2S)-2-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]cyclohexan-1-ol with MolForge

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Related Compounds

(2S)-3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]-1,1,1-trifluoropropan-2-ol
CID 171763586
cis-(1S,6R)-6-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]-2,2-difluorocyclohexan-1-ol
CID 171763630
trans-(1R,2R)-2-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]-5,5-difluorocyclohexan-1-ol
CID 171763723
cis-(1S,3R)-3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]cyclohexan-1-ol
CID 166099089
trans-(1R,2R)-2-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]cyclohexan-1-ol
CID 166099150
(3S,4R)-4-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]oxan-3-ol
CID 166099153
(3S,5R)-5-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]-1-ethylpiperidin-3-ol
CID 166152980
(3S,5R)-5-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]piperidin-3-ol;hydrochloride
CID 166153015
(3S,5R)-5-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]piperidin-3-ol
CID 166153016
(3R)-1-(6-chloro-5-methyl-1,2,4-triazin-3-yl)piperidin-3-ol
CID 171553507
(3S,6R)-1-(6-chloro-5-methyl-1,2,4-triazin-3-yl)-6-methylpiperidin-3-ol
CID 171553515
1-[(2R)-1-(6-chloro-5-methyl-1,2,4-triazin-3-yl)pyrrolidin-2-yl]ethanol
CID 171553535

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]cyclohexan-1-ol?
The IUPAC name of cis-(1R,2S)-2-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]cyclohexan-1-ol (CID 171763522) is cis-(1R,2S)-2-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]cyclohexan-1-ol.
What is the SMILES notation for cis-(1R,2S)-2-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]cyclohexan-1-ol?
The canonical SMILES for cis-(1R,2S)-2-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]cyclohexan-1-ol is Cc1nc(N[C@H]2CCCC[C@H]2O)nnc1Cl.
What is the InChIKey of cis-(1R,2S)-2-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]cyclohexan-1-ol?
The InChIKey is OTGBVAPDBRZSIT-JGVFFNPUSA-N. The full InChI is InChI=1S/C10H15ClN4O/c1-6-9(11)14-15-10(12-6)13-7-4-2-3-5-8(7)16/h7-8,16H,2-5H2,1H3,(H,12,13,15)/t7-,8+/m0/s1.
What are the key properties of cis-(1R,2S)-2-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]cyclohexan-1-ol?
cis-(1R,2S)-2-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]cyclohexan-1-ol has a molecular weight of 242.71 g/mol, XLogP of 1.55, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]cyclohexan-1-ol is sourced from PubChem (CID 171763522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).