5-bromo-2-[(2,4-dichlorophenyl)methyl]-1,2,4-triazol-3-amine

C9H7BrCl2N4 — CID 131613352

IUPAC5-bromo-2-[(2,4-dichlorophenyl)methyl]-1,2,4-triazol-3-amine
SMILESNc1nc(Br)nn1Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C9H7BrCl2N4/c10-8-14-9(13)16(15-8)4-5-1-2-6(11)3-7(5)12/h1-3H,4H2,(H2,13,14,15)
InChIKeyLWBFLIHOVORXEU-UHFFFAOYSA-N
MW321.99 g/mol
LogP2.98
Rot. Bonds2

About 5-bromo-2-[(2,4-dichlorophenyl)methyl]-1,2,4-triazol-3-amine

5-bromo-2-[(2,4-dichlorophenyl)methyl]-1,2,4-triazol-3-amine (PubChem CID 131613352) has the molecular formula C9H7BrCl2N4 and a molecular weight of 321.99 g/mol. Its IUPAC name is 5-bromo-2-[(2,4-dichlorophenyl)methyl]-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-bromo-2-[(2,4-dichlorophenyl)methyl]-1,2,4-triazol-3-amine
PubChem CID131613352
Molecular FormulaC9H7BrCl2N4
Molecular Weight321.99 g/mol
Exact Mass319.92
IUPAC Name5-bromo-2-[(2,4-dichlorophenyl)methyl]-1,2,4-triazol-3-amine
SMILESNc1nc(Br)nn1Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C9H7BrCl2N4/c10-8-14-9(13)16(15-8)4-5-1-2-6(11)3-7(5)12/h1-3H,4H2,(H2,13,14,15)
InChIKeyLWBFLIHOVORXEU-UHFFFAOYSA-N
XLogP2.98
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.99
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2,4-dichlorophenyl)methyl]-4-methyl-6-phenylpyrazolo[3,4-d]pyrimidin-3-amine
CID 35715079
1-[(2,4-dichlorophenyl)methyl]-3,5-diphenyl-1,2,4-triazole
CID 3134332
5-amino-1-[(2,4-dichlorophenyl)methyl]triazole-4-carboxamide
CID 14662861
3-[(2,4-dichlorophenyl)methyl]-5-phenyltriazol-4-amine
CID 46397595
1-[(2,4-dichlorophenyl)methyl]-3,6-dimethylindazole
CID 143192052
4-bromo-1-[(2,5-dichlorophenyl)methyl]pyrazol-3-amine
CID 65317657
5-[(2,4-dichlorophenyl)methyl]-2-methylpyrimidine-4,6-diamine
CID 3779331
1-[(2,4-dichlorophenyl)methyl]indazole-3-carboxamide
CID 11537039
[1-[(2,4-dichlorophenyl)methyl]-5-ethyltriazol-4-yl]methanamine
CID 82203709
ethyl 1-[(2,4-dichlorophenyl)methyl]-5-(4-methylphenyl)pyrazole-3-carboxylate
CID 91872726
1-[(2,4-dichlorophenyl)methyl]azetidine
CID 127007358
1-[(2,4-dichlorophenyl)methyl]azetidin-3-amine
CID 65245032

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(2,4-dichlorophenyl)methyl]-1,2,4-triazol-3-amine?
The IUPAC name of 5-bromo-2-[(2,4-dichlorophenyl)methyl]-1,2,4-triazol-3-amine (CID 131613352) is 5-bromo-2-[(2,4-dichlorophenyl)methyl]-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-bromo-2-[(2,4-dichlorophenyl)methyl]-1,2,4-triazol-3-amine?
The canonical SMILES for 5-bromo-2-[(2,4-dichlorophenyl)methyl]-1,2,4-triazol-3-amine is Nc1nc(Br)nn1Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 5-bromo-2-[(2,4-dichlorophenyl)methyl]-1,2,4-triazol-3-amine?
The InChIKey is LWBFLIHOVORXEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrCl2N4/c10-8-14-9(13)16(15-8)4-5-1-2-6(11)3-7(5)12/h1-3H,4H2,(H2,13,14,15).
What are the key properties of 5-bromo-2-[(2,4-dichlorophenyl)methyl]-1,2,4-triazol-3-amine?
5-bromo-2-[(2,4-dichlorophenyl)methyl]-1,2,4-triazol-3-amine has a molecular weight of 321.99 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(2,4-dichlorophenyl)methyl]-1,2,4-triazol-3-amine is sourced from PubChem (CID 131613352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).