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

C8H8BrN5 — CID 103098972

IUPAC5-bromo-1-(3-methyl-2-pyridinyl)-1,2,4-triazol-3-amine
SMILESCc1cccnc1-n1nc(N)nc1Br
InChIInChI=1S/C8H8BrN5/c1-5-3-2-4-11-6(5)14-7(9)12-8(10)13-14/h2-4H,1H3,(H2,10,13)
InChIKeyUUIXMDBKPRZOLD-UHFFFAOYSA-N
MW254.09 g/mol
LogP1.32
Rot. Bonds1

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

5-bromo-1-(3-methyl-2-pyridinyl)-1,2,4-triazol-3-amine (PubChem CID 103098972) has the molecular formula C8H8BrN5 and a molecular weight of 254.09 g/mol. Its IUPAC name is 5-bromo-1-(3-methyl-2-pyridinyl)-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-bromo-1-(3-methyl-2-pyridinyl)-1,2,4-triazol-3-amine
PubChem CID103098972
Molecular FormulaC8H8BrN5
Molecular Weight254.09 g/mol
Exact Mass253.00
IUPAC Name5-bromo-1-(3-methyl-2-pyridinyl)-1,2,4-triazol-3-amine
SMILESCc1cccnc1-n1nc(N)nc1Br
InChIInChI=1S/C8H8BrN5/c1-5-3-2-4-11-6(5)14-7(9)12-8(10)13-14/h2-4H,1H3,(H2,10,13)
InChIKeyUUIXMDBKPRZOLD-UHFFFAOYSA-N
XLogP1.32
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.09
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-1-pyridin-2-yl-1,2,4-triazol-3-amine
CID 103098897
2-(4-bromo-3,5-dimethylpyrazol-1-yl)pyridin-3-amine
CID 62129713
3,5-dimethyl-1-(3-methyl-2-pyridinyl)pyrazol-4-ol
CID 39096479
5-bromo-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)-1,2,4-triazol-3-amine
CID 103098937
5-bromo-1-quinolin-4-yl-1,2,4-triazol-3-amine
CID 103099001
5-bromo-1-(5-bromo-3-chloro-2-pyridinyl)-1,2,4-triazol-3-amine
CID 103583004
3-chloro-1-(3-methyl-2-pyridinyl)pyrazole-5-carbonyl chloride
CID 164570520
5-bromo-1-(4-methylsulfonylphenyl)-1,2,4-triazol-3-amine
CID 103099058
5-bromo-1-phthalazin-1-yl-1,2,4-triazol-3-amine
CID 103099031
2-bromo-3-methylpyridine;ethane
CID 143610978
methoxymethane;3-methylpyridin-2-amine
CID 142348172
2-bromo-3-methylpyridine;zinc
CID 87255964

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(3-methyl-2-pyridinyl)-1,2,4-triazol-3-amine?
The IUPAC name of 5-bromo-1-(3-methyl-2-pyridinyl)-1,2,4-triazol-3-amine (CID 103098972) is 5-bromo-1-(3-methyl-2-pyridinyl)-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-bromo-1-(3-methyl-2-pyridinyl)-1,2,4-triazol-3-amine?
The canonical SMILES for 5-bromo-1-(3-methyl-2-pyridinyl)-1,2,4-triazol-3-amine is Cc1cccnc1-n1nc(N)nc1Br.
What is the InChIKey of 5-bromo-1-(3-methyl-2-pyridinyl)-1,2,4-triazol-3-amine?
The InChIKey is UUIXMDBKPRZOLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrN5/c1-5-3-2-4-11-6(5)14-7(9)12-8(10)13-14/h2-4H,1H3,(H2,10,13).
What are the key properties of 5-bromo-1-(3-methyl-2-pyridinyl)-1,2,4-triazol-3-amine?
5-bromo-1-(3-methyl-2-pyridinyl)-1,2,4-triazol-3-amine has a molecular weight of 254.09 g/mol, XLogP of 1.32, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(3-methyl-2-pyridinyl)-1,2,4-triazol-3-amine is sourced from PubChem (CID 103098972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).