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

C9H15Cl2N5O — CID 166153015

IUPAC(3S,5R)-5-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]piperidin-3-ol;hydrochloride
SMILESCc1nc(N[C@H]2CNC[C@@H](O)C2)nnc1Cl.Cl
InChIInChI=1S/C9H14ClN5O.ClH/c1-5-8(10)14-15-9(12-5)13-6-2-7(16)4-11-3-6;/h6-7,11,16H,2-4H2,1H3,(H,12,13,15);1H/t6-,7+;/m1./s1
InChIKeyJEOCVXNIFYGVBD-HHQFNNIRSA-N
MW280.16 g/mol
LogP0.39
Rot. Bonds2

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

(3S,5R)-5-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]piperidin-3-ol;hydrochloride (PubChem CID 166153015) has the molecular formula C9H15Cl2N5O and a molecular weight of 280.16 g/mol. Its IUPAC name is (3S,5R)-5-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]piperidin-3-ol;hydrochloride.

Molecular Properties

Compound Name(3S,5R)-5-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]piperidin-3-ol;hydrochloride
PubChem CID166153015
Molecular FormulaC9H15Cl2N5O
Molecular Weight280.16 g/mol
Exact Mass279.07
IUPAC Name(3S,5R)-5-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]piperidin-3-ol;hydrochloride
SMILESCc1nc(N[C@H]2CNC[C@@H](O)C2)nnc1Cl.Cl
InChIInChI=1S/C9H14ClN5O.ClH/c1-5-8(10)14-15-9(12-5)13-6-2-7(16)4-11-3-6;/h6-7,11,16H,2-4H2,1H3,(H,12,13,15);1H/t6-,7+;/m1./s1
InChIKeyJEOCVXNIFYGVBD-HHQFNNIRSA-N
XLogP0.39
TPSA82.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.16
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

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Related Compounds

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
6-chloro-N-[(3R,5R)-5-fluoro-1-(2-methoxyethyl)piperidin-3-yl]-5-methyl-1,2,4-triazin-3-amine
CID 176918035
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
3-[(6-Chloro-5-methyl-1,2,4-triazin-3-yl)amino]-1-methylcyclobutan-1-ol
CID 166152999
tert-butyl (3R,5S)-3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]-5-hydroxypiperidine-1-carboxylate
CID 166153003
(3S,5R)-5-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]piperidin-3-ol
CID 166153016
6-chloro-5-methyl-N-[(3R)-piperidin-3-yl]-1,2,4-triazin-3-amine
CID 168973542
6-chloro-5-methyl-N-piperidin-3-yl-1,2,4-triazin-3-amine
CID 169743286

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-5-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]piperidin-3-ol;hydrochloride?
The IUPAC name of (3S,5R)-5-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]piperidin-3-ol;hydrochloride (CID 166153015) is (3S,5R)-5-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]piperidin-3-ol;hydrochloride.
What is the SMILES notation for (3S,5R)-5-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]piperidin-3-ol;hydrochloride?
The canonical SMILES for (3S,5R)-5-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]piperidin-3-ol;hydrochloride is Cc1nc(N[C@H]2CNC[C@@H](O)C2)nnc1Cl.Cl.
What is the InChIKey of (3S,5R)-5-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]piperidin-3-ol;hydrochloride?
The InChIKey is JEOCVXNIFYGVBD-HHQFNNIRSA-N. The full InChI is InChI=1S/C9H14ClN5O.ClH/c1-5-8(10)14-15-9(12-5)13-6-2-7(16)4-11-3-6;/h6-7,11,16H,2-4H2,1H3,(H,12,13,15);1H/t6-,7+;/m1./s1.
What are the key properties of (3S,5R)-5-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]piperidin-3-ol;hydrochloride?
(3S,5R)-5-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]piperidin-3-ol;hydrochloride has a molecular weight of 280.16 g/mol, XLogP of 0.39, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-5-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]piperidin-3-ol;hydrochloride is sourced from PubChem (CID 166153015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).