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

C10H15ClN4O — CID 171553515

IUPAC(3S,6R)-1-(6-chloro-5-methyl-1,2,4-triazin-3-yl)-6-methylpiperidin-3-ol
SMILESCc1nc(N2C[C@@H](O)CC[C@H]2C)nnc1Cl
InChIInChI=1S/C10H15ClN4O/c1-6-3-4-8(16)5-15(6)10-12-7(2)9(11)13-14-10/h6,8,16H,3-5H2,1-2H3/t6-,8+/m1/s1
InChIKeyVLZOJRSFGYEQCI-SVRRBLITSA-N
MW242.71 g/mol
LogP1.18
Rot. Bonds1

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

(3S,6R)-1-(6-chloro-5-methyl-1,2,4-triazin-3-yl)-6-methylpiperidin-3-ol (PubChem CID 171553515) has the molecular formula C10H15ClN4O and a molecular weight of 242.71 g/mol. Its IUPAC name is (3S,6R)-1-(6-chloro-5-methyl-1,2,4-triazin-3-yl)-6-methylpiperidin-3-ol.

Molecular Properties

Compound Name(3S,6R)-1-(6-chloro-5-methyl-1,2,4-triazin-3-yl)-6-methylpiperidin-3-ol
PubChem CID171553515
Molecular FormulaC10H15ClN4O
Molecular Weight242.71 g/mol
Exact Mass242.09
IUPAC Name(3S,6R)-1-(6-chloro-5-methyl-1,2,4-triazin-3-yl)-6-methylpiperidin-3-ol
SMILESCc1nc(N2C[C@@H](O)CC[C@H]2C)nnc1Cl
InChIInChI=1S/C10H15ClN4O/c1-6-3-4-8(16)5-15(6)10-12-7(2)9(11)13-14-10/h6,8,16H,3-5H2,1-2H3/t6-,8+/m1/s1
InChIKeyVLZOJRSFGYEQCI-SVRRBLITSA-N
XLogP1.18
TPSA62.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S,6R)-1-(6-chloro-5-methyl-1,2,4-triazin-3-yl)-6-methylpiperidin-3-ol?
The IUPAC name of (3S,6R)-1-(6-chloro-5-methyl-1,2,4-triazin-3-yl)-6-methylpiperidin-3-ol (CID 171553515) is (3S,6R)-1-(6-chloro-5-methyl-1,2,4-triazin-3-yl)-6-methylpiperidin-3-ol.
What is the SMILES notation for (3S,6R)-1-(6-chloro-5-methyl-1,2,4-triazin-3-yl)-6-methylpiperidin-3-ol?
The canonical SMILES for (3S,6R)-1-(6-chloro-5-methyl-1,2,4-triazin-3-yl)-6-methylpiperidin-3-ol is Cc1nc(N2C[C@@H](O)CC[C@H]2C)nnc1Cl.
What is the InChIKey of (3S,6R)-1-(6-chloro-5-methyl-1,2,4-triazin-3-yl)-6-methylpiperidin-3-ol?
The InChIKey is VLZOJRSFGYEQCI-SVRRBLITSA-N. The full InChI is InChI=1S/C10H15ClN4O/c1-6-3-4-8(16)5-15(6)10-12-7(2)9(11)13-14-10/h6,8,16H,3-5H2,1-2H3/t6-,8+/m1/s1.
What are the key properties of (3S,6R)-1-(6-chloro-5-methyl-1,2,4-triazin-3-yl)-6-methylpiperidin-3-ol?
(3S,6R)-1-(6-chloro-5-methyl-1,2,4-triazin-3-yl)-6-methylpiperidin-3-ol has a molecular weight of 242.71 g/mol, XLogP of 1.18, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6R)-1-(6-chloro-5-methyl-1,2,4-triazin-3-yl)-6-methylpiperidin-3-ol is sourced from PubChem (CID 171553515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).