3-(3-chloro-4-methylpiperidin-1-yl)-5,6-dimethyl-1,2,4-triazine

C11H17ClN4 — CID 102960958

IUPAC3-(3-chloro-4-methylpiperidin-1-yl)-5,6-dimethyl-1,2,4-triazine
SMILESCc1nnc(N2CCC(C)C(Cl)C2)nc1C
InChIInChI=1S/C11H17ClN4/c1-7-4-5-16(6-10(7)12)11-13-8(2)9(3)14-15-11/h7,10H,4-6H2,1-3H3
InChIKeyKNWBBEXNGVJDRT-UHFFFAOYSA-N
MW240.74 g/mol
LogP1.94
Rot. Bonds1

About 3-(3-chloro-4-methylpiperidin-1-yl)-5,6-dimethyl-1,2,4-triazine

3-(3-chloro-4-methylpiperidin-1-yl)-5,6-dimethyl-1,2,4-triazine (PubChem CID 102960958) has the molecular formula C11H17ClN4 and a molecular weight of 240.74 g/mol. Its IUPAC name is 3-(3-chloro-4-methylpiperidin-1-yl)-5,6-dimethyl-1,2,4-triazine.

Molecular Properties

Compound Name3-(3-chloro-4-methylpiperidin-1-yl)-5,6-dimethyl-1,2,4-triazine
PubChem CID102960958
Molecular FormulaC11H17ClN4
Molecular Weight240.74 g/mol
Exact Mass240.11
IUPAC Name3-(3-chloro-4-methylpiperidin-1-yl)-5,6-dimethyl-1,2,4-triazine
SMILESCc1nnc(N2CCC(C)C(Cl)C2)nc1C
InChIInChI=1S/C11H17ClN4/c1-7-4-5-16(6-10(7)12)11-13-8(2)9(3)14-15-11/h7,10H,4-6H2,1-3H3
InChIKeyKNWBBEXNGVJDRT-UHFFFAOYSA-N
XLogP1.94
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.74
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-[4-(chloromethyl)piperidin-1-yl]-5,6-dimethyl-1,2,4-triazine
CID 114787772
2-(3-chloro-4-methylpiperidin-1-yl)pyrimidine
CID 102960793
5,6-dimethyl-3-piperidin-1-yl-1,2,4-triazine
CID 130168376
5,6-dimethyl-3-(4-pyrimidin-2-ylpiperidin-1-yl)-1,2,4-triazine
CID 138050658
[(2R)-4-(5,6-dimethyl-1,2,4-triazin-3-yl)-1-methylpiperazin-2-yl]methanol
CID 164640080
2-(bromomethyl)-4-(5,6-dimethyl-1,2,4-triazin-3-yl)morpholine
CID 114787902
4-[1-(5,6-dimethyl-1,2,4-triazin-3-yl)pyrrolidin-3-yl]-2-pyrrolidin-1-yl-1H-pyrimidin-6-one
CID 137248018
N-[[1-(5,6-dimethyl-1,2,4-triazin-3-yl)piperidin-3-yl]methyl]-2-methylpropan-1-amine
CID 114787661
N-[[1-(5,6-dimethyl-1,2,4-triazin-3-yl)pyrrolidin-3-yl]methyl]pyridin-2-amine
CID 86798079
1-(5,6-dimethyl-1,2,4-triazin-3-yl)-3-methylpiperidine-2-carboxylic acid
CID 107070377
5-(3-chloro-4-methylpiperidin-1-yl)-3-(trifluoromethyl)-1,2,4-thiadiazole
CID 107306217
2-(3-chloro-4-methylpiperidin-1-yl)-1,3-benzothiazole
CID 102960755

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-methylpiperidin-1-yl)-5,6-dimethyl-1,2,4-triazine?
The IUPAC name of 3-(3-chloro-4-methylpiperidin-1-yl)-5,6-dimethyl-1,2,4-triazine (CID 102960958) is 3-(3-chloro-4-methylpiperidin-1-yl)-5,6-dimethyl-1,2,4-triazine.
What is the SMILES notation for 3-(3-chloro-4-methylpiperidin-1-yl)-5,6-dimethyl-1,2,4-triazine?
The canonical SMILES for 3-(3-chloro-4-methylpiperidin-1-yl)-5,6-dimethyl-1,2,4-triazine is Cc1nnc(N2CCC(C)C(Cl)C2)nc1C.
What is the InChIKey of 3-(3-chloro-4-methylpiperidin-1-yl)-5,6-dimethyl-1,2,4-triazine?
The InChIKey is KNWBBEXNGVJDRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4/c1-7-4-5-16(6-10(7)12)11-13-8(2)9(3)14-15-11/h7,10H,4-6H2,1-3H3.
What are the key properties of 3-(3-chloro-4-methylpiperidin-1-yl)-5,6-dimethyl-1,2,4-triazine?
3-(3-chloro-4-methylpiperidin-1-yl)-5,6-dimethyl-1,2,4-triazine has a molecular weight of 240.74 g/mol, XLogP of 1.94, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-methylpiperidin-1-yl)-5,6-dimethyl-1,2,4-triazine is sourced from PubChem (CID 102960958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).