5-(2,4-dibromophenyl)-N,4-diethyl-1,2,4-triazol-3-amine

C12H14Br2N4 — CID 107938614

IUPAC5-(2,4-dibromophenyl)-N,4-diethyl-1,2,4-triazol-3-amine
SMILESCCNc1nnc(-c2ccc(Br)cc2Br)n1CC
InChIInChI=1S/C12H14Br2N4/c1-3-15-12-17-16-11(18(12)4-2)9-6-5-8(13)7-10(9)14/h5-7H,3-4H2,1-2H3,(H,15,17)
InChIKeyQBJSILWCPYYDSB-UHFFFAOYSA-N
MW374.08 g/mol
LogP3.92
Rot. Bonds4

About 5-(2,4-dibromophenyl)-N,4-diethyl-1,2,4-triazol-3-amine

5-(2,4-dibromophenyl)-N,4-diethyl-1,2,4-triazol-3-amine (PubChem CID 107938614) has the molecular formula C12H14Br2N4 and a molecular weight of 374.08 g/mol. Its IUPAC name is 5-(2,4-dibromophenyl)-N,4-diethyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-(2,4-dibromophenyl)-N,4-diethyl-1,2,4-triazol-3-amine
PubChem CID107938614
Molecular FormulaC12H14Br2N4
Molecular Weight374.08 g/mol
Exact Mass371.96
IUPAC Name5-(2,4-dibromophenyl)-N,4-diethyl-1,2,4-triazol-3-amine
SMILESCCNc1nnc(-c2ccc(Br)cc2Br)n1CC
InChIInChI=1S/C12H14Br2N4/c1-3-15-12-17-16-11(18(12)4-2)9-6-5-8(13)7-10(9)14/h5-7H,3-4H2,1-2H3,(H,15,17)
InChIKeyQBJSILWCPYYDSB-UHFFFAOYSA-N
XLogP3.92
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.08
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-amino-4-bromophenyl)-N,4-diethyl-1,2,4-triazol-3-amine
CID 112597577
5-(2-amino-5-bromophenyl)-N,4-diethyl-1,2,4-triazol-3-amine
CID 112597483
5-(2-chloro-4-methylphenyl)-N,4-diethyl-1,2,4-triazol-3-amine
CID 106860889
2-[4-ethyl-5-(ethylamino)-1,2,4-triazol-3-yl]-4-methylphenol
CID 136926765
5-(3-bromo-5-methylphenyl)-N,4-diethyl-1,2,4-triazol-3-amine
CID 104851072
5-(2-chloro-4-fluorophenyl)-N,4-diethyl-1,2,4-triazol-3-amine
CID 112596918
5-(3-amino-5-bromophenyl)-N,4-diethyl-1,2,4-triazol-3-amine
CID 112597550
5-(3-bromo-2-pyridinyl)-N,4-diethyl-1,2,4-triazol-3-amine
CID 107517319
N,4-diethyl-5-naphthalen-1-yl-1,2,4-triazol-3-amine
CID 115945502
5-[2-amino-4-(trifluoromethyl)phenyl]-N,4-diethyl-1,2,4-triazol-3-amine
CID 115945516
N,4-diethyl-5-(2-methyl-4-nitrophenyl)-1,2,4-triazol-3-amine
CID 115945443
N,4-diethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-amine
CID 112596812

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dibromophenyl)-N,4-diethyl-1,2,4-triazol-3-amine?
The IUPAC name of 5-(2,4-dibromophenyl)-N,4-diethyl-1,2,4-triazol-3-amine (CID 107938614) is 5-(2,4-dibromophenyl)-N,4-diethyl-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-(2,4-dibromophenyl)-N,4-diethyl-1,2,4-triazol-3-amine?
The canonical SMILES for 5-(2,4-dibromophenyl)-N,4-diethyl-1,2,4-triazol-3-amine is CCNc1nnc(-c2ccc(Br)cc2Br)n1CC.
What is the InChIKey of 5-(2,4-dibromophenyl)-N,4-diethyl-1,2,4-triazol-3-amine?
The InChIKey is QBJSILWCPYYDSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Br2N4/c1-3-15-12-17-16-11(18(12)4-2)9-6-5-8(13)7-10(9)14/h5-7H,3-4H2,1-2H3,(H,15,17).
What are the key properties of 5-(2,4-dibromophenyl)-N,4-diethyl-1,2,4-triazol-3-amine?
5-(2,4-dibromophenyl)-N,4-diethyl-1,2,4-triazol-3-amine has a molecular weight of 374.08 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dibromophenyl)-N,4-diethyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 107938614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).