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

C9H14ClN5O — CID 166153016

IUPAC(3S,5R)-5-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]piperidin-3-ol
SMILESCc1nc(N[C@H]2CNC[C@@H](O)C2)nnc1Cl
InChIInChI=1S/C9H14ClN5O/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)/t6-,7+/m1/s1
InChIKeyNDDUVPQLJNMBFL-RQJHMYQMSA-N
MW243.70 g/mol
LogP-0.03
Rot. Bonds2

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

(3S,5R)-5-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]piperidin-3-ol (PubChem CID 166153016) has the molecular formula C9H14ClN5O and a molecular weight of 243.70 g/mol. Its IUPAC name is (3S,5R)-5-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]piperidin-3-ol.

Molecular Properties

Compound Name(3S,5R)-5-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]piperidin-3-ol
PubChem CID166153016
Molecular FormulaC9H14ClN5O
Molecular Weight243.70 g/mol
Exact Mass243.09
IUPAC Name(3S,5R)-5-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]piperidin-3-ol
SMILESCc1nc(N[C@H]2CNC[C@@H](O)C2)nnc1Cl
InChIInChI=1S/C9H14ClN5O/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)/t6-,7+/m1/s1
InChIKeyNDDUVPQLJNMBFL-RQJHMYQMSA-N
XLogP-0.03
TPSA82.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.70
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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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?
The IUPAC name of (3S,5R)-5-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]piperidin-3-ol (CID 166153016) is (3S,5R)-5-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]piperidin-3-ol.
What is the SMILES notation for (3S,5R)-5-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]piperidin-3-ol?
The canonical SMILES for (3S,5R)-5-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]piperidin-3-ol is Cc1nc(N[C@H]2CNC[C@@H](O)C2)nnc1Cl.
What is the InChIKey of (3S,5R)-5-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]piperidin-3-ol?
The InChIKey is NDDUVPQLJNMBFL-RQJHMYQMSA-N. The full InChI is InChI=1S/C9H14ClN5O/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)/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?
(3S,5R)-5-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]piperidin-3-ol has a molecular weight of 243.70 g/mol, XLogP of -0.03, 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 is sourced from PubChem (CID 166153016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).