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

C10H17BrN4 — CID 114787886

IUPACN-(2-bromoethyl)-5,6-dimethyl-N-propyl-1,2,4-triazin-3-amine
SMILESCCCN(CCBr)c1nnc(C)c(C)n1
InChIInChI=1S/C10H17BrN4/c1-4-6-15(7-5-11)10-12-8(2)9(3)13-14-10/h4-7H2,1-3H3
InChIKeyQHWBHWLMMGUURF-UHFFFAOYSA-N
MW273.18 g/mol
LogP2.10
Rot. Bonds5

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

N-(2-bromoethyl)-5,6-dimethyl-N-propyl-1,2,4-triazin-3-amine (PubChem CID 114787886) has the molecular formula C10H17BrN4 and a molecular weight of 273.18 g/mol. Its IUPAC name is N-(2-bromoethyl)-5,6-dimethyl-N-propyl-1,2,4-triazin-3-amine.

Molecular Properties

Compound NameN-(2-bromoethyl)-5,6-dimethyl-N-propyl-1,2,4-triazin-3-amine
PubChem CID114787886
Molecular FormulaC10H17BrN4
Molecular Weight273.18 g/mol
Exact Mass272.06
IUPAC NameN-(2-bromoethyl)-5,6-dimethyl-N-propyl-1,2,4-triazin-3-amine
SMILESCCCN(CCBr)c1nnc(C)c(C)n1
InChIInChI=1S/C10H17BrN4/c1-4-6-15(7-5-11)10-12-8(2)9(3)13-14-10/h4-7H2,1-3H3
InChIKeyQHWBHWLMMGUURF-UHFFFAOYSA-N
XLogP2.10
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.18
LogP ≤ 52.10
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)-5,6-dimethyl-N-(2,2,2-trifluoroethyl)-1,2,4-triazin-3-amine
CID 107490296
5,6-dimethyl-N-(piperidin-2-ylmethyl)-N-propyl-1,2,4-triazin-3-amine
CID 106642559
2-[(5,6-dimethyl-1,2,4-triazin-3-yl)-(2,2,2-trifluoroethyl)amino]ethanol
CID 107484584
N-(2-chloroethyl)-N-(2,2-difluoroethyl)-5,6-dimethyl-1,2,4-triazin-3-amine
CID 107489951
N-(2-bromoethyl)-N-butyl-5-methylpyrimidin-2-amine
CID 80669848
N-[(2-aminophenyl)methyl]-N-ethyl-5,6-dimethyl-1,2,4-triazin-3-amine
CID 114787292
N-(2-bromoethyl)-5-methyl-N-propylpyridin-2-amine
CID 80674163
N-(2-bromoethyl)-3-methyl-N-propylpyridin-2-amine
CID 80674717
2-(dipropylamino)-4-methylpyrimidine-5-carboxylic acid
CID 83181799
N-(2-chloroethyl)-N-cyclopropyl-5,6-dimethyl-1,2,4-triazin-3-amine
CID 114787767
5-(ethylaminomethyl)-4-methyl-N,N-dipropylpyrimidin-2-amine
CID 83186275
N-(2-bromoethyl)-6-methoxy-N-propylpyridin-2-amine
CID 80673734

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-5,6-dimethyl-N-propyl-1,2,4-triazin-3-amine?
The IUPAC name of N-(2-bromoethyl)-5,6-dimethyl-N-propyl-1,2,4-triazin-3-amine (CID 114787886) is N-(2-bromoethyl)-5,6-dimethyl-N-propyl-1,2,4-triazin-3-amine.
What is the SMILES notation for N-(2-bromoethyl)-5,6-dimethyl-N-propyl-1,2,4-triazin-3-amine?
The canonical SMILES for N-(2-bromoethyl)-5,6-dimethyl-N-propyl-1,2,4-triazin-3-amine is CCCN(CCBr)c1nnc(C)c(C)n1.
What is the InChIKey of N-(2-bromoethyl)-5,6-dimethyl-N-propyl-1,2,4-triazin-3-amine?
The InChIKey is QHWBHWLMMGUURF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BrN4/c1-4-6-15(7-5-11)10-12-8(2)9(3)13-14-10/h4-7H2,1-3H3.
What are the key properties of N-(2-bromoethyl)-5,6-dimethyl-N-propyl-1,2,4-triazin-3-amine?
N-(2-bromoethyl)-5,6-dimethyl-N-propyl-1,2,4-triazin-3-amine has a molecular weight of 273.18 g/mol, XLogP of 2.10, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-5,6-dimethyl-N-propyl-1,2,4-triazin-3-amine is sourced from PubChem (CID 114787886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).