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

C8H8BrN5 — CID 114869714

IUPAC1-(5-bromo-4-methyl-2-pyridinyl)-1,2,4-triazol-3-amine
SMILESCc1cc(-n2cnc(N)n2)ncc1Br
InChIInChI=1S/C8H8BrN5/c1-5-2-7(11-3-6(5)9)14-4-12-8(10)13-14/h2-4H,1H3,(H2,10,13)
InChIKeyRLGUZHCDIDDVHU-UHFFFAOYSA-N
MW254.09 g/mol
LogP1.32
Rot. Bonds1

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

1-(5-bromo-4-methyl-2-pyridinyl)-1,2,4-triazol-3-amine (PubChem CID 114869714) has the molecular formula C8H8BrN5 and a molecular weight of 254.09 g/mol. Its IUPAC name is 1-(5-bromo-4-methyl-2-pyridinyl)-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name1-(5-bromo-4-methyl-2-pyridinyl)-1,2,4-triazol-3-amine
PubChem CID114869714
Molecular FormulaC8H8BrN5
Molecular Weight254.09 g/mol
Exact Mass253.00
IUPAC Name1-(5-bromo-4-methyl-2-pyridinyl)-1,2,4-triazol-3-amine
SMILESCc1cc(-n2cnc(N)n2)ncc1Br
InChIInChI=1S/C8H8BrN5/c1-5-2-7(11-3-6(5)9)14-4-12-8(10)13-14/h2-4H,1H3,(H2,10,13)
InChIKeyRLGUZHCDIDDVHU-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

4-bromo-1-(5-bromo-4-methyl-2-pyridinyl)pyrazol-3-amine
CID 114869716
3-[1-(5-bromo-4-methyl-2-pyridinyl)pyrazol-4-yl]aniline
CID 114869718
1-(2,4,6-tribromophenyl)-1,2,4-triazol-3-amine
CID 129354129
1-(5-bromo-4-methyl-2-pyridinyl)azepane
CID 53408181
5-bromo-2-(1,5-dihydro-1,2,4-triazol-4-yl)-4-methylpyridine
CID 175065675
1-(5-bromo-4-methyl-2-pyridinyl)-N,N-dimethylpyrazole-3-carboxamide
CID 114870573
4-(5-bromo-4-methyl-2-pyridinyl)-1H-1,2,4-triazol-5-one
CID 107410591
4-(5-bromo-4-methyl-2-pyridinyl)thiomorpholine
CID 115773933
5-amino-2-(5-bromo-4-methyl-2-pyridinyl)isoindole-1,3-dione
CID 79730230
3-[4-(5-bromo-4-methyl-2-pyridinyl)piperazin-1-yl]aniline
CID 114869657
2-[4-(5-bromo-4-methyl-2-pyridinyl)piperazin-1-yl]pyridin-3-amine
CID 114869654
1-[1-(5-bromo-4-methyl-2-pyridinyl)pyrrolidin-3-yl]ethanamine
CID 114869616

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-4-methyl-2-pyridinyl)-1,2,4-triazol-3-amine?
The IUPAC name of 1-(5-bromo-4-methyl-2-pyridinyl)-1,2,4-triazol-3-amine (CID 114869714) is 1-(5-bromo-4-methyl-2-pyridinyl)-1,2,4-triazol-3-amine.
What is the SMILES notation for 1-(5-bromo-4-methyl-2-pyridinyl)-1,2,4-triazol-3-amine?
The canonical SMILES for 1-(5-bromo-4-methyl-2-pyridinyl)-1,2,4-triazol-3-amine is Cc1cc(-n2cnc(N)n2)ncc1Br.
What is the InChIKey of 1-(5-bromo-4-methyl-2-pyridinyl)-1,2,4-triazol-3-amine?
The InChIKey is RLGUZHCDIDDVHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrN5/c1-5-2-7(11-3-6(5)9)14-4-12-8(10)13-14/h2-4H,1H3,(H2,10,13).
What are the key properties of 1-(5-bromo-4-methyl-2-pyridinyl)-1,2,4-triazol-3-amine?
1-(5-bromo-4-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 1-(5-bromo-4-methyl-2-pyridinyl)-1,2,4-triazol-3-amine is sourced from PubChem (CID 114869714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).