2,4-dichloro-6-[(3S)-3-methylpiperidin-1-yl]-1,3,5-triazine

C9H12Cl2N4 — CID 139074922

IUPAC2,4-dichloro-6-[(3S)-3-methylpiperidin-1-yl]-1,3,5-triazine
SMILESC[C@H]1CCCN(c2nc(Cl)nc(Cl)n2)C1
InChIInChI=1S/C9H12Cl2N4/c1-6-3-2-4-15(5-6)9-13-7(10)12-8(11)14-9/h6H,2-5H2,1H3/t6-/m0/s1
InChIKeyAZGMKPSXCXPJSP-LURJTMIESA-N
MW247.13 g/mol
LogP2.41
Rot. Bonds1

About 2,4-dichloro-6-[(3S)-3-methylpiperidin-1-yl]-1,3,5-triazine

2,4-dichloro-6-[(3S)-3-methylpiperidin-1-yl]-1,3,5-triazine (PubChem CID 139074922) has the molecular formula C9H12Cl2N4 and a molecular weight of 247.13 g/mol. Its IUPAC name is 2,4-dichloro-6-[(3S)-3-methylpiperidin-1-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2,4-dichloro-6-[(3S)-3-methylpiperidin-1-yl]-1,3,5-triazine
PubChem CID139074922
Molecular FormulaC9H12Cl2N4
Molecular Weight247.13 g/mol
Exact Mass246.04
IUPAC Name2,4-dichloro-6-[(3S)-3-methylpiperidin-1-yl]-1,3,5-triazine
SMILESC[C@H]1CCCN(c2nc(Cl)nc(Cl)n2)C1
InChIInChI=1S/C9H12Cl2N4/c1-6-3-2-4-15(5-6)9-13-7(10)12-8(11)14-9/h6H,2-5H2,1H3/t6-/m0/s1
InChIKeyAZGMKPSXCXPJSP-LURJTMIESA-N
XLogP2.41
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.13
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-Dichloro-6-(1-piperidinyl)-1,3,5-triazine
CID 209165
1,3,5-Triazine-2,4-diamine, N,N,N',N'-tetramethyl-6-(1-piperidinyl)-
CID 969866
2-Chloro-4-methoxy-6-(piperidin-1-yl)-1,3,5-triazine
CID 611667
2-Chloro-4,6-bis(4-methylpiperidin-1-yl)-1,3,5-triazine
CID 698431
4-chloro-N,N-diethyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 14813048
CID 60727059
CID 60727059
2,4-Dichloro-6-(3,3-difluoropiperidin-1-yl)-1,3,5-triazine
CID 118936960
2,4-Dichloro-6-(3,5-dimethylpiperidin-1-yl)-1,3,5-triazine
CID 60727006
2-Chloro-4,6-bis(3,5-dimethylpiperidin-1-yl)-1,3,5-triazine
CID 129874860
4-Methylpiperidin-1-yl-1,3,5-triazine
CID 168355022
2,4-Dichloro-6-[3-(trifluoromethyl)piperidin-1-yl]-1,3,5-triazine
CID 60726181
4-chloro-N-methyl-6-piperidin-1-yl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
CID 62864231

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-[(3S)-3-methylpiperidin-1-yl]-1,3,5-triazine?
The IUPAC name of 2,4-dichloro-6-[(3S)-3-methylpiperidin-1-yl]-1,3,5-triazine (CID 139074922) is 2,4-dichloro-6-[(3S)-3-methylpiperidin-1-yl]-1,3,5-triazine.
What is the SMILES notation for 2,4-dichloro-6-[(3S)-3-methylpiperidin-1-yl]-1,3,5-triazine?
The canonical SMILES for 2,4-dichloro-6-[(3S)-3-methylpiperidin-1-yl]-1,3,5-triazine is C[C@H]1CCCN(c2nc(Cl)nc(Cl)n2)C1.
What is the InChIKey of 2,4-dichloro-6-[(3S)-3-methylpiperidin-1-yl]-1,3,5-triazine?
The InChIKey is AZGMKPSXCXPJSP-LURJTMIESA-N. The full InChI is InChI=1S/C9H12Cl2N4/c1-6-3-2-4-15(5-6)9-13-7(10)12-8(11)14-9/h6H,2-5H2,1H3/t6-/m0/s1.
What are the key properties of 2,4-dichloro-6-[(3S)-3-methylpiperidin-1-yl]-1,3,5-triazine?
2,4-dichloro-6-[(3S)-3-methylpiperidin-1-yl]-1,3,5-triazine has a molecular weight of 247.13 g/mol, XLogP of 2.41, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-[(3S)-3-methylpiperidin-1-yl]-1,3,5-triazine is sourced from PubChem (CID 139074922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).