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

C11H18ClN5O — CID 176918028

IUPAC(3S,4S)-3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]-1-ethylpiperidin-4-ol
SMILESCCN1CC[C@H](O)[C@@H](Nc2nnc(Cl)c(C)n2)C1
InChIInChI=1S/C11H18ClN5O/c1-3-17-5-4-9(18)8(6-17)14-11-13-7(2)10(12)15-16-11/h8-9,18H,3-6H2,1-2H3,(H,13,14,16)/t8-,9-/m0/s1
InChIKeyBCJGWWXUHNLDRR-IUCAKERBSA-N
MW271.75 g/mol
LogP0.70
Rot. Bonds3

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

(3S,4S)-3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]-1-ethylpiperidin-4-ol (PubChem CID 176918028) has the molecular formula C11H18ClN5O and a molecular weight of 271.75 g/mol. Its IUPAC name is (3S,4S)-3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]-1-ethylpiperidin-4-ol.

Molecular Properties

Compound Name(3S,4S)-3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]-1-ethylpiperidin-4-ol
PubChem CID176918028
Molecular FormulaC11H18ClN5O
Molecular Weight271.75 g/mol
Exact Mass271.12
IUPAC Name(3S,4S)-3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]-1-ethylpiperidin-4-ol
SMILESCCN1CC[C@H](O)[C@@H](Nc2nnc(Cl)c(C)n2)C1
InChIInChI=1S/C11H18ClN5O/c1-3-17-5-4-9(18)8(6-17)14-11-13-7(2)10(12)15-16-11/h8-9,18H,3-6H2,1-2H3,(H,13,14,16)/t8-,9-/m0/s1
InChIKeyBCJGWWXUHNLDRR-IUCAKERBSA-N
XLogP0.70
TPSA74.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

6-chloro-5-methyl-N-[(3R)-1-methylpyrrolidin-3-yl]-1,2,4-triazin-3-amine
CID 176918022
(3S,5R)-5-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]piperidin-3-ol
CID 166153016
N-(1-tert-butylpiperidin-3-yl)-6-chloro-5-methyl-1,2,4-triazin-3-amine
CID 166152965
methyl 3-[(3R)-3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]piperidin-1-yl]propanoate
CID 171787610
6-chloro-N-(5-fluoro-1-methylpiperidin-3-yl)-5-methyl-1,2,4-triazin-3-amine
CID 166152988
6-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]spiro[3.3]heptan-2-ol
CID 171763533
trans-(1R,3R)-3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]cyclopentane-1-carbonitrile
CID 171763552
(3S,4R)-1-ethyl-3-methylpiperidin-4-ol
CID 143448112
(3R,4S)-1,3-diethylpiperidin-4-ol
CID 129380803
(3S,4R)-1-ethyl-3-fluoropiperidin-4-ol
CID 67202820
1-ethyl-3-fluoropiperidin-4-ol
CID 58266532
5-[3-[[(3R)-1-ethylpiperidin-3-yl]amino]-5-methyl-1,2,4-triazin-6-yl]-1-benzothiophen-6-ol
CID 176918012

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]-1-ethylpiperidin-4-ol?
The IUPAC name of (3S,4S)-3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]-1-ethylpiperidin-4-ol (CID 176918028) is (3S,4S)-3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]-1-ethylpiperidin-4-ol.
What is the SMILES notation for (3S,4S)-3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]-1-ethylpiperidin-4-ol?
The canonical SMILES for (3S,4S)-3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]-1-ethylpiperidin-4-ol is CCN1CC[C@H](O)[C@@H](Nc2nnc(Cl)c(C)n2)C1.
What is the InChIKey of (3S,4S)-3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]-1-ethylpiperidin-4-ol?
The InChIKey is BCJGWWXUHNLDRR-IUCAKERBSA-N. The full InChI is InChI=1S/C11H18ClN5O/c1-3-17-5-4-9(18)8(6-17)14-11-13-7(2)10(12)15-16-11/h8-9,18H,3-6H2,1-2H3,(H,13,14,16)/t8-,9-/m0/s1.
What are the key properties of (3S,4S)-3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]-1-ethylpiperidin-4-ol?
(3S,4S)-3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]-1-ethylpiperidin-4-ol has a molecular weight of 271.75 g/mol, XLogP of 0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]-1-ethylpiperidin-4-ol is sourced from PubChem (CID 176918028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).