3-(4-bromopiperidin-1-yl)-5,6-diethyl-1,2,4-triazine

C12H19BrN4 — CID 105363434

IUPAC3-(4-bromopiperidin-1-yl)-5,6-diethyl-1,2,4-triazine
SMILESCCc1nnc(N2CCC(Br)CC2)nc1CC
InChIInChI=1S/C12H19BrN4/c1-3-10-11(4-2)15-16-12(14-10)17-7-5-9(13)6-8-17/h9H,3-8H2,1-2H3
InChIKeyROWWPGRBALXAFR-UHFFFAOYSA-N
MW299.22 g/mol
LogP2.36
Rot. Bonds3

About 3-(4-bromopiperidin-1-yl)-5,6-diethyl-1,2,4-triazine

3-(4-bromopiperidin-1-yl)-5,6-diethyl-1,2,4-triazine (PubChem CID 105363434) has the molecular formula C12H19BrN4 and a molecular weight of 299.22 g/mol. Its IUPAC name is 3-(4-bromopiperidin-1-yl)-5,6-diethyl-1,2,4-triazine.

Molecular Properties

Compound Name3-(4-bromopiperidin-1-yl)-5,6-diethyl-1,2,4-triazine
PubChem CID105363434
Molecular FormulaC12H19BrN4
Molecular Weight299.22 g/mol
Exact Mass298.08
IUPAC Name3-(4-bromopiperidin-1-yl)-5,6-diethyl-1,2,4-triazine
SMILESCCc1nnc(N2CCC(Br)CC2)nc1CC
InChIInChI=1S/C12H19BrN4/c1-3-10-11(4-2)15-16-12(14-10)17-7-5-9(13)6-8-17/h9H,3-8H2,1-2H3
InChIKeyROWWPGRBALXAFR-UHFFFAOYSA-N
XLogP2.36
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.22
LogP ≤ 52.36
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

N-(2-bromoethyl)-N-(2,2-difluoroethyl)-5,6-diethyl-1,2,4-triazin-3-amine
CID 113965540
N-(2-bromoethyl)-5,6-diethyl-N-(2,2,2-trifluoroethyl)-1,2,4-triazin-3-amine
CID 113965653
5,6-Diethyl-3-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]-1,2,4-triazine
CID 133532993
5,6-Diethyl-3-[4-(trifluoromethyl)piperidin-1-yl]-1,2,4-triazine
CID 133534075
N,N-dimethyl-1-(5-methyl-6-propyl-1,2,4-triazin-3-yl)methanamine
CID 144391846
5,5',6,6'-Tetraethyl-3,3'-bi-1,2,4-triazine
CID 71330950
N-(2-bromocyclohexyl)-N,5,6-trimethyl-1,2,4-triazin-3-amine
CID 102637720
2-N-(5,6-diethyl-1,2,4-triazin-3-yl)-2-N-methylcyclohexane-1,2-diamine
CID 102639647
3-[2-(Bromomethyl)-3-methylpyrrolidin-1-yl]-5,6-diethyl-1,2,4-triazine
CID 102786448
3-(3-Bromo-4-methylpiperidin-1-yl)-5,6-dimethyl-1,2,4-triazine
CID 102961224
(3R)-1-(5,6-diethyl-1,2,4-triazin-3-yl)piperidin-3-amine
CID 102986034
[1-(5,6-Diethyl-1,2,4-triazin-3-yl)-4-ethylpiperidin-2-yl]methanamine
CID 103353534

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromopiperidin-1-yl)-5,6-diethyl-1,2,4-triazine?
The IUPAC name of 3-(4-bromopiperidin-1-yl)-5,6-diethyl-1,2,4-triazine (CID 105363434) is 3-(4-bromopiperidin-1-yl)-5,6-diethyl-1,2,4-triazine.
What is the SMILES notation for 3-(4-bromopiperidin-1-yl)-5,6-diethyl-1,2,4-triazine?
The canonical SMILES for 3-(4-bromopiperidin-1-yl)-5,6-diethyl-1,2,4-triazine is CCc1nnc(N2CCC(Br)CC2)nc1CC.
What is the InChIKey of 3-(4-bromopiperidin-1-yl)-5,6-diethyl-1,2,4-triazine?
The InChIKey is ROWWPGRBALXAFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN4/c1-3-10-11(4-2)15-16-12(14-10)17-7-5-9(13)6-8-17/h9H,3-8H2,1-2H3.
What are the key properties of 3-(4-bromopiperidin-1-yl)-5,6-diethyl-1,2,4-triazine?
3-(4-bromopiperidin-1-yl)-5,6-diethyl-1,2,4-triazine has a molecular weight of 299.22 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromopiperidin-1-yl)-5,6-diethyl-1,2,4-triazine is sourced from PubChem (CID 105363434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).