(3R)-1-(6-chloro-5-methyl-1,2,4-triazin-3-yl)piperidin-3-ol

C9H13ClN4O — CID 171553507

IUPAC(3R)-1-(6-chloro-5-methyl-1,2,4-triazin-3-yl)piperidin-3-ol
SMILESCc1nc(N2CCC[C@@H](O)C2)nnc1Cl
InChIInChI=1S/C9H13ClN4O/c1-6-8(10)12-13-9(11-6)14-4-2-3-7(15)5-14/h7,15H,2-5H2,1H3/t7-/m1/s1
InChIKeyKPHJVRNLSYUJFY-SSDOTTSWSA-N
MW228.68 g/mol
LogP0.79
Rot. Bonds1

About (3R)-1-(6-chloro-5-methyl-1,2,4-triazin-3-yl)piperidin-3-ol

(3R)-1-(6-chloro-5-methyl-1,2,4-triazin-3-yl)piperidin-3-ol (PubChem CID 171553507) has the molecular formula C9H13ClN4O and a molecular weight of 228.68 g/mol. Its IUPAC name is (3R)-1-(6-chloro-5-methyl-1,2,4-triazin-3-yl)piperidin-3-ol.

Molecular Properties

Compound Name(3R)-1-(6-chloro-5-methyl-1,2,4-triazin-3-yl)piperidin-3-ol
PubChem CID171553507
Molecular FormulaC9H13ClN4O
Molecular Weight228.68 g/mol
Exact Mass228.08
IUPAC Name(3R)-1-(6-chloro-5-methyl-1,2,4-triazin-3-yl)piperidin-3-ol
SMILESCc1nc(N2CCC[C@@H](O)C2)nnc1Cl
InChIInChI=1S/C9H13ClN4O/c1-6-8(10)12-13-9(11-6)14-4-2-3-7(15)5-14/h7,15H,2-5H2,1H3/t7-/m1/s1
InChIKeyKPHJVRNLSYUJFY-SSDOTTSWSA-N
XLogP0.79
TPSA62.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-(6-chloro-5-methyl-1,2,4-triazin-3-yl)piperidin-3-ol?
The IUPAC name of (3R)-1-(6-chloro-5-methyl-1,2,4-triazin-3-yl)piperidin-3-ol (CID 171553507) is (3R)-1-(6-chloro-5-methyl-1,2,4-triazin-3-yl)piperidin-3-ol.
What is the SMILES notation for (3R)-1-(6-chloro-5-methyl-1,2,4-triazin-3-yl)piperidin-3-ol?
The canonical SMILES for (3R)-1-(6-chloro-5-methyl-1,2,4-triazin-3-yl)piperidin-3-ol is Cc1nc(N2CCC[C@@H](O)C2)nnc1Cl.
What is the InChIKey of (3R)-1-(6-chloro-5-methyl-1,2,4-triazin-3-yl)piperidin-3-ol?
The InChIKey is KPHJVRNLSYUJFY-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H13ClN4O/c1-6-8(10)12-13-9(11-6)14-4-2-3-7(15)5-14/h7,15H,2-5H2,1H3/t7-/m1/s1.
What are the key properties of (3R)-1-(6-chloro-5-methyl-1,2,4-triazin-3-yl)piperidin-3-ol?
(3R)-1-(6-chloro-5-methyl-1,2,4-triazin-3-yl)piperidin-3-ol has a molecular weight of 228.68 g/mol, XLogP of 0.79, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(6-chloro-5-methyl-1,2,4-triazin-3-yl)piperidin-3-ol is sourced from PubChem (CID 171553507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).