N-(2-bromoethyl)-N-cyclobutyl-5,6-dimethyl-1,2,4-triazin-3-amine

C11H17BrN4 — CID 102871651

IUPACN-(2-bromoethyl)-N-cyclobutyl-5,6-dimethyl-1,2,4-triazin-3-amine
SMILESCc1nnc(N(CCBr)C2CCC2)nc1C
InChIInChI=1S/C11H17BrN4/c1-8-9(2)14-15-11(13-8)16(7-6-12)10-4-3-5-10/h10H,3-7H2,1-2H3
InChIKeyIGMMXWAQDBRYSG-UHFFFAOYSA-N
MW285.19 g/mol
LogP2.24
Rot. Bonds4

About N-(2-bromoethyl)-N-cyclobutyl-5,6-dimethyl-1,2,4-triazin-3-amine

N-(2-bromoethyl)-N-cyclobutyl-5,6-dimethyl-1,2,4-triazin-3-amine (PubChem CID 102871651) has the molecular formula C11H17BrN4 and a molecular weight of 285.19 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-cyclobutyl-5,6-dimethyl-1,2,4-triazin-3-amine.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-cyclobutyl-5,6-dimethyl-1,2,4-triazin-3-amine
PubChem CID102871651
Molecular FormulaC11H17BrN4
Molecular Weight285.19 g/mol
Exact Mass284.06
IUPAC NameN-(2-bromoethyl)-N-cyclobutyl-5,6-dimethyl-1,2,4-triazin-3-amine
SMILESCc1nnc(N(CCBr)C2CCC2)nc1C
InChIInChI=1S/C11H17BrN4/c1-8-9(2)14-15-11(13-8)16(7-6-12)10-4-3-5-10/h10H,3-7H2,1-2H3
InChIKeyIGMMXWAQDBRYSG-UHFFFAOYSA-N
XLogP2.24
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.19
LogP ≤ 52.24
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-cyclobutyl-5,6-dimethyl-1,2,4-triazin-3-amine?
The IUPAC name of N-(2-bromoethyl)-N-cyclobutyl-5,6-dimethyl-1,2,4-triazin-3-amine (CID 102871651) is N-(2-bromoethyl)-N-cyclobutyl-5,6-dimethyl-1,2,4-triazin-3-amine.
What is the SMILES notation for N-(2-bromoethyl)-N-cyclobutyl-5,6-dimethyl-1,2,4-triazin-3-amine?
The canonical SMILES for N-(2-bromoethyl)-N-cyclobutyl-5,6-dimethyl-1,2,4-triazin-3-amine is Cc1nnc(N(CCBr)C2CCC2)nc1C.
What is the InChIKey of N-(2-bromoethyl)-N-cyclobutyl-5,6-dimethyl-1,2,4-triazin-3-amine?
The InChIKey is IGMMXWAQDBRYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN4/c1-8-9(2)14-15-11(13-8)16(7-6-12)10-4-3-5-10/h10H,3-7H2,1-2H3.
What are the key properties of N-(2-bromoethyl)-N-cyclobutyl-5,6-dimethyl-1,2,4-triazin-3-amine?
N-(2-bromoethyl)-N-cyclobutyl-5,6-dimethyl-1,2,4-triazin-3-amine has a molecular weight of 285.19 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-cyclobutyl-5,6-dimethyl-1,2,4-triazin-3-amine is sourced from PubChem (CID 102871651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).