N-(2-bromoethyl)-N-cyclohexyl-5,6-diethyl-1,2,4-triazin-3-amine

C15H25BrN4 — CID 105363427

IUPACN-(2-bromoethyl)-N-cyclohexyl-5,6-diethyl-1,2,4-triazin-3-amine
SMILESCCc1nnc(N(CCBr)C2CCCCC2)nc1CC
InChIInChI=1S/C15H25BrN4/c1-3-13-14(4-2)18-19-15(17-13)20(11-10-16)12-8-6-5-7-9-12/h12H,3-11H2,1-2H3
InChIKeyBIDGTCMEGGRFGD-UHFFFAOYSA-N
MW341.30 g/mol
LogP3.53
Rot. Bonds6

About N-(2-bromoethyl)-N-cyclohexyl-5,6-diethyl-1,2,4-triazin-3-amine

N-(2-bromoethyl)-N-cyclohexyl-5,6-diethyl-1,2,4-triazin-3-amine (PubChem CID 105363427) has the molecular formula C15H25BrN4 and a molecular weight of 341.30 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-cyclohexyl-5,6-diethyl-1,2,4-triazin-3-amine.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-cyclohexyl-5,6-diethyl-1,2,4-triazin-3-amine
PubChem CID105363427
Molecular FormulaC15H25BrN4
Molecular Weight341.30 g/mol
Exact Mass340.13
IUPAC NameN-(2-bromoethyl)-N-cyclohexyl-5,6-diethyl-1,2,4-triazin-3-amine
SMILESCCc1nnc(N(CCBr)C2CCCCC2)nc1CC
InChIInChI=1S/C15H25BrN4/c1-3-13-14(4-2)18-19-15(17-13)20(11-10-16)12-8-6-5-7-9-12/h12H,3-11H2,1-2H3
InChIKeyBIDGTCMEGGRFGD-UHFFFAOYSA-N
XLogP3.53
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.30
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-cyclohexyl-5,6-diethyl-1,2,4-triazin-3-amine?
The IUPAC name of N-(2-bromoethyl)-N-cyclohexyl-5,6-diethyl-1,2,4-triazin-3-amine (CID 105363427) is N-(2-bromoethyl)-N-cyclohexyl-5,6-diethyl-1,2,4-triazin-3-amine.
What is the SMILES notation for N-(2-bromoethyl)-N-cyclohexyl-5,6-diethyl-1,2,4-triazin-3-amine?
The canonical SMILES for N-(2-bromoethyl)-N-cyclohexyl-5,6-diethyl-1,2,4-triazin-3-amine is CCc1nnc(N(CCBr)C2CCCCC2)nc1CC.
What is the InChIKey of N-(2-bromoethyl)-N-cyclohexyl-5,6-diethyl-1,2,4-triazin-3-amine?
The InChIKey is BIDGTCMEGGRFGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25BrN4/c1-3-13-14(4-2)18-19-15(17-13)20(11-10-16)12-8-6-5-7-9-12/h12H,3-11H2,1-2H3.
What are the key properties of N-(2-bromoethyl)-N-cyclohexyl-5,6-diethyl-1,2,4-triazin-3-amine?
N-(2-bromoethyl)-N-cyclohexyl-5,6-diethyl-1,2,4-triazin-3-amine has a molecular weight of 341.30 g/mol, XLogP of 3.53, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-cyclohexyl-5,6-diethyl-1,2,4-triazin-3-amine is sourced from PubChem (CID 105363427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).