N-(2-bromopropyl)-5,6-diethyl-N-methyl-1,2,4-triazin-3-amine

C11H19BrN4 — CID 105363419

IUPACN-(2-bromopropyl)-5,6-diethyl-N-methyl-1,2,4-triazin-3-amine
SMILESCCc1nnc(N(C)CC(C)Br)nc1CC
InChIInChI=1S/C11H19BrN4/c1-5-9-10(6-2)14-15-11(13-9)16(4)7-8(3)12/h8H,5-7H2,1-4H3
InChIKeyJTGMVJJZVZLERN-UHFFFAOYSA-N
MW287.20 g/mol
LogP2.22
Rot. Bonds5

About N-(2-bromopropyl)-5,6-diethyl-N-methyl-1,2,4-triazin-3-amine

N-(2-bromopropyl)-5,6-diethyl-N-methyl-1,2,4-triazin-3-amine (PubChem CID 105363419) has the molecular formula C11H19BrN4 and a molecular weight of 287.20 g/mol. Its IUPAC name is N-(2-bromopropyl)-5,6-diethyl-N-methyl-1,2,4-triazin-3-amine.

Molecular Properties

Compound NameN-(2-bromopropyl)-5,6-diethyl-N-methyl-1,2,4-triazin-3-amine
PubChem CID105363419
Molecular FormulaC11H19BrN4
Molecular Weight287.20 g/mol
Exact Mass286.08
IUPAC NameN-(2-bromopropyl)-5,6-diethyl-N-methyl-1,2,4-triazin-3-amine
SMILESCCc1nnc(N(C)CC(C)Br)nc1CC
InChIInChI=1S/C11H19BrN4/c1-5-9-10(6-2)14-15-11(13-9)16(4)7-8(3)12/h8H,5-7H2,1-4H3
InChIKeyJTGMVJJZVZLERN-UHFFFAOYSA-N
XLogP2.22
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.20
LogP ≤ 52.22
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

methyl 3-[(5,6-diethyl-1,2,4-triazin-3-yl)-methylamino]-2-methylpropanoate
CID 105363266
3-[(5,6-diethyl-1,2,4-triazin-3-yl)-methylamino]propanenitrile
CID 105362232
4-N-(5,6-diethyl-1,2,4-triazin-3-yl)-4-N-methylcyclohexane-1,4-diamine
CID 105362020
N-(3-bromopropyl)-N,5,6-triethyl-1,2,4-triazin-3-amine
CID 105363457
N-(2-bromopropyl)-N-methylquinoxalin-2-amine
CID 80671714
N-(2-bromopropyl)-4-methoxy-N,6-dimethylpyrimidin-2-amine
CID 112635692
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5,6-diethyl-N-methyl-1,2,4-triazin-3-amine
CID 126771566
2-N-(5,6-diethyl-1,2,4-triazin-3-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine
CID 105362544
2-N-(5,6-diethyl-1,2,4-triazin-3-yl)-1-N,1-N-diethylpropane-1,2-diamine
CID 105362578
2-[(5,6-diethyl-1,2,4-triazin-3-yl)-(2,2,2-trifluoroethyl)amino]ethanol
CID 107484546
3-[(5,6-diethyl-1,2,4-triazin-3-yl)carbamoyl-methylamino]-2-methylpropanoic acid
CID 114388555
2-(5,6-diethyl-1,2,4-triazin-3-yl)propanoic acid
CID 105363547

Frequently Asked Questions

What is the IUPAC name of N-(2-bromopropyl)-5,6-diethyl-N-methyl-1,2,4-triazin-3-amine?
The IUPAC name of N-(2-bromopropyl)-5,6-diethyl-N-methyl-1,2,4-triazin-3-amine (CID 105363419) is N-(2-bromopropyl)-5,6-diethyl-N-methyl-1,2,4-triazin-3-amine.
What is the SMILES notation for N-(2-bromopropyl)-5,6-diethyl-N-methyl-1,2,4-triazin-3-amine?
The canonical SMILES for N-(2-bromopropyl)-5,6-diethyl-N-methyl-1,2,4-triazin-3-amine is CCc1nnc(N(C)CC(C)Br)nc1CC.
What is the InChIKey of N-(2-bromopropyl)-5,6-diethyl-N-methyl-1,2,4-triazin-3-amine?
The InChIKey is JTGMVJJZVZLERN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19BrN4/c1-5-9-10(6-2)14-15-11(13-9)16(4)7-8(3)12/h8H,5-7H2,1-4H3.
What are the key properties of N-(2-bromopropyl)-5,6-diethyl-N-methyl-1,2,4-triazin-3-amine?
N-(2-bromopropyl)-5,6-diethyl-N-methyl-1,2,4-triazin-3-amine has a molecular weight of 287.20 g/mol, XLogP of 2.22, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromopropyl)-5,6-diethyl-N-methyl-1,2,4-triazin-3-amine is sourced from PubChem (CID 105363419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).