N-[(3-bromophenyl)methyl]-5,6-diethyl-1,2,4-triazin-3-amine

C14H17BrN4 — CID 105362509

IUPACN-[(3-bromophenyl)methyl]-5,6-diethyl-1,2,4-triazin-3-amine
SMILESCCc1nnc(NCc2cccc(Br)c2)nc1CC
InChIInChI=1S/C14H17BrN4/c1-3-12-13(4-2)18-19-14(17-12)16-9-10-6-5-7-11(15)8-10/h5-8H,3-4,9H2,1-2H3,(H,16,17,19)
InChIKeyAKDFBQURFRGAFE-UHFFFAOYSA-N
MW321.22 g/mol
LogP3.37
Rot. Bonds5

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

N-[(3-bromophenyl)methyl]-5,6-diethyl-1,2,4-triazin-3-amine (PubChem CID 105362509) has the molecular formula C14H17BrN4 and a molecular weight of 321.22 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-5,6-diethyl-1,2,4-triazin-3-amine.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-5,6-diethyl-1,2,4-triazin-3-amine
PubChem CID105362509
Molecular FormulaC14H17BrN4
Molecular Weight321.22 g/mol
Exact Mass320.06
IUPAC NameN-[(3-bromophenyl)methyl]-5,6-diethyl-1,2,4-triazin-3-amine
SMILESCCc1nnc(NCc2cccc(Br)c2)nc1CC
InChIInChI=1S/C14H17BrN4/c1-3-12-13(4-2)18-19-14(17-12)16-9-10-6-5-7-11(15)8-10/h5-8H,3-4,9H2,1-2H3,(H,16,17,19)
InChIKeyAKDFBQURFRGAFE-UHFFFAOYSA-N
XLogP3.37
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-bromothiophen-2-yl)methyl]-5,6-diethyl-1,2,4-triazin-3-amine
CID 105362665
2-N-[(3-bromophenyl)methyl]-6-ethoxy-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 80777916
6-bromo-N-[(3-bromophenyl)methyl]pyridin-2-amine
CID 63961950
2-N-[(3-bromophenyl)methyl]-6-ethoxy-1,3,5-triazine-2,4-diamine
CID 80794144
4-N-[(3-bromophenyl)methyl]-6-N-ethyl-2-propylpyrimidine-4,6-diamine
CID 80941793
1-bromo-3-ethylbenzene;ethane
CID 143778556
1-bromo-3-ethylbenzene;methane
CID 158533972
4-N-[(3-bromophenyl)methyl]-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80961112
N-[(3-bromophenyl)methyl]aniline;hydrochloride
CID 69090735
4-N-[(3-bromophenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 78983069
5-N-[(3-bromophenyl)methyl]-3-N-propylpyridine-3,5-diamine
CID 104533230
4-N-[(3-bromophenyl)methyl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80794434

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-5,6-diethyl-1,2,4-triazin-3-amine?
The IUPAC name of N-[(3-bromophenyl)methyl]-5,6-diethyl-1,2,4-triazin-3-amine (CID 105362509) is N-[(3-bromophenyl)methyl]-5,6-diethyl-1,2,4-triazin-3-amine.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-5,6-diethyl-1,2,4-triazin-3-amine?
The canonical SMILES for N-[(3-bromophenyl)methyl]-5,6-diethyl-1,2,4-triazin-3-amine is CCc1nnc(NCc2cccc(Br)c2)nc1CC.
What is the InChIKey of N-[(3-bromophenyl)methyl]-5,6-diethyl-1,2,4-triazin-3-amine?
The InChIKey is AKDFBQURFRGAFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN4/c1-3-12-13(4-2)18-19-14(17-12)16-9-10-6-5-7-11(15)8-10/h5-8H,3-4,9H2,1-2H3,(H,16,17,19).
What are the key properties of N-[(3-bromophenyl)methyl]-5,6-diethyl-1,2,4-triazin-3-amine?
N-[(3-bromophenyl)methyl]-5,6-diethyl-1,2,4-triazin-3-amine has a molecular weight of 321.22 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-5,6-diethyl-1,2,4-triazin-3-amine is sourced from PubChem (CID 105362509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).