5-bromo-1-(5-bromo-3-chloro-2-pyridinyl)-1,2,4-triazol-3-amine

C7H4Br2ClN5 — CID 103583004

IUPAC5-bromo-1-(5-bromo-3-chloro-2-pyridinyl)-1,2,4-triazol-3-amine
SMILESNc1nc(Br)n(-c2ncc(Br)cc2Cl)n1
InChIInChI=1S/C7H4Br2ClN5/c8-3-1-4(10)5(12-2-3)15-6(9)13-7(11)14-15/h1-2H,(H2,11,14)
InChIKeyDAOWUZCQDYIMFW-UHFFFAOYSA-N
MW353.41 g/mol
LogP2.42
Rot. Bonds1

About 5-bromo-1-(5-bromo-3-chloro-2-pyridinyl)-1,2,4-triazol-3-amine

5-bromo-1-(5-bromo-3-chloro-2-pyridinyl)-1,2,4-triazol-3-amine (PubChem CID 103583004) has the molecular formula C7H4Br2ClN5 and a molecular weight of 353.41 g/mol. Its IUPAC name is 5-bromo-1-(5-bromo-3-chloro-2-pyridinyl)-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-bromo-1-(5-bromo-3-chloro-2-pyridinyl)-1,2,4-triazol-3-amine
PubChem CID103583004
Molecular FormulaC7H4Br2ClN5
Molecular Weight353.41 g/mol
Exact Mass350.85
IUPAC Name5-bromo-1-(5-bromo-3-chloro-2-pyridinyl)-1,2,4-triazol-3-amine
SMILESNc1nc(Br)n(-c2ncc(Br)cc2Cl)n1
InChIInChI=1S/C7H4Br2ClN5/c8-3-1-4(10)5(12-2-3)15-6(9)13-7(11)14-15/h1-2H,(H2,11,14)
InChIKeyDAOWUZCQDYIMFW-UHFFFAOYSA-N
XLogP2.42
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.41
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-1-(7-bromo-1,5-naphthyridin-4-yl)-1,2,4-triazol-3-amine
CID 103098993
5-bromo-1-pyridin-2-yl-1,2,4-triazol-3-amine
CID 103098897
2-[4-(5-bromo-3-chloro-2-pyridinyl)piperazin-1-yl]ethanamine
CID 103582181
1-(5-bromopyrimidin-2-yl)-1,2,4-triazole-3,5-diamine
CID 130156112
[1-(5-bromo-3-chloro-2-pyridinyl)azetidin-3-yl]methanamine
CID 103584239
5-bromo-1-(3-methyl-2-pyridinyl)-1,2,4-triazol-3-amine
CID 103098972
5-bromo-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)-1,2,4-triazol-3-amine
CID 103098937
5-bromo-3-chloro-2-(2-methylimidazol-1-yl)pyridine
CID 103583489
1-(5-bromo-3-chloro-2-pyridinyl)imidazole-4,5-dicarbonitrile
CID 103583527
5-bromo-3-chloro-2-(3-nitro-1,2,4-triazol-1-yl)pyridine
CID 103583502
1-(5-bromo-3-chloro-2-pyridinyl)-4-hydroxypyrrolidin-2-one
CID 168703181
5-bromo-3-chloro-2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]pyridine
CID 103583473

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(5-bromo-3-chloro-2-pyridinyl)-1,2,4-triazol-3-amine?
The IUPAC name of 5-bromo-1-(5-bromo-3-chloro-2-pyridinyl)-1,2,4-triazol-3-amine (CID 103583004) is 5-bromo-1-(5-bromo-3-chloro-2-pyridinyl)-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-bromo-1-(5-bromo-3-chloro-2-pyridinyl)-1,2,4-triazol-3-amine?
The canonical SMILES for 5-bromo-1-(5-bromo-3-chloro-2-pyridinyl)-1,2,4-triazol-3-amine is Nc1nc(Br)n(-c2ncc(Br)cc2Cl)n1.
What is the InChIKey of 5-bromo-1-(5-bromo-3-chloro-2-pyridinyl)-1,2,4-triazol-3-amine?
The InChIKey is DAOWUZCQDYIMFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Br2ClN5/c8-3-1-4(10)5(12-2-3)15-6(9)13-7(11)14-15/h1-2H,(H2,11,14).
What are the key properties of 5-bromo-1-(5-bromo-3-chloro-2-pyridinyl)-1,2,4-triazol-3-amine?
5-bromo-1-(5-bromo-3-chloro-2-pyridinyl)-1,2,4-triazol-3-amine has a molecular weight of 353.41 g/mol, XLogP of 2.42, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(5-bromo-3-chloro-2-pyridinyl)-1,2,4-triazol-3-amine is sourced from PubChem (CID 103583004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).