6-(3-bromo-4-chlorophenyl)-1,2,4-triazine-3,5-diamine

C9H7BrClN5 — CID 44531118

IUPAC6-(3-bromo-4-chlorophenyl)-1,2,4-triazine-3,5-diamine
SMILESNc1nnc(-c2ccc(Cl)c(Br)c2)c(N)n1
InChIInChI=1S/C9H7BrClN5/c10-5-3-4(1-2-6(5)11)7-8(12)14-9(13)16-15-7/h1-3H,(H4,12,13,14,16)
InChIKeyIMVUDEYWOIFLNC-UHFFFAOYSA-N
MW300.55 g/mol
LogP2.12
Rot. Bonds1

About 6-(3-bromo-4-chlorophenyl)-1,2,4-triazine-3,5-diamine

6-(3-bromo-4-chlorophenyl)-1,2,4-triazine-3,5-diamine (PubChem CID 44531118) has the molecular formula C9H7BrClN5 and a molecular weight of 300.55 g/mol. Its IUPAC name is 6-(3-bromo-4-chlorophenyl)-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name6-(3-bromo-4-chlorophenyl)-1,2,4-triazine-3,5-diamine
PubChem CID44531118
Molecular FormulaC9H7BrClN5
Molecular Weight300.55 g/mol
Exact Mass298.96
IUPAC Name6-(3-bromo-4-chlorophenyl)-1,2,4-triazine-3,5-diamine
SMILESNc1nnc(-c2ccc(Cl)c(Br)c2)c(N)n1
InChIInChI=1S/C9H7BrClN5/c10-5-3-4(1-2-6(5)11)7-8(12)14-9(13)16-15-7/h1-3H,(H4,12,13,14,16)
InChIKeyIMVUDEYWOIFLNC-UHFFFAOYSA-N
XLogP2.12
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.55
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Lamotrigine
CID 3878
6-(4-Bromophenyl)-3-(4-chlorophenyl)-1,2,4-triazin-5-amine
CID 6402475
1,2,4-Triazine-3,5-diamine, 6-(2,5-dichlorophenyl)-
CID 3060073
6-(2,4-Dichlorophenyl)-1,2,4-triazine-3,5-diamine
CID 18347897
6-[4-Methyl-3-chlorophenyl]-3,5-diamino-1,2,4-triazine
CID 596958
6-(2,3-Dichlorophenyl)-1,2,4-triazine-3,5-diamine-13C3
CID 45039644
6-(4-Chlorophenyl)-1,2,4-triazine-3,5-diamine
CID 21814736
1,2,4-Triazine, 3,5-diamino-6-(p-chlorobenzyl)-
CID 171384678
3,5-Diamino-6-(3,4-dichlorophenyl)-1,2,4-triazine
CID 15332575
3,5-Diamino-6-(2-bromophenyl)-1,2,4-tri-azine
CID 23311131
6-(2-Chlorophenyl)-1,2,4-triazine-3,5-diamine
CID 23311135
6-Bromo-5-phenyl-1,2,4-triazin-3-amine
CID 86676114

Frequently Asked Questions

What is the IUPAC name of 6-(3-bromo-4-chlorophenyl)-1,2,4-triazine-3,5-diamine?
The IUPAC name of 6-(3-bromo-4-chlorophenyl)-1,2,4-triazine-3,5-diamine (CID 44531118) is 6-(3-bromo-4-chlorophenyl)-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 6-(3-bromo-4-chlorophenyl)-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 6-(3-bromo-4-chlorophenyl)-1,2,4-triazine-3,5-diamine is Nc1nnc(-c2ccc(Cl)c(Br)c2)c(N)n1.
What is the InChIKey of 6-(3-bromo-4-chlorophenyl)-1,2,4-triazine-3,5-diamine?
The InChIKey is IMVUDEYWOIFLNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrClN5/c10-5-3-4(1-2-6(5)11)7-8(12)14-9(13)16-15-7/h1-3H,(H4,12,13,14,16).
What are the key properties of 6-(3-bromo-4-chlorophenyl)-1,2,4-triazine-3,5-diamine?
6-(3-bromo-4-chlorophenyl)-1,2,4-triazine-3,5-diamine has a molecular weight of 300.55 g/mol, XLogP of 2.12, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-bromo-4-chlorophenyl)-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 44531118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).