[1-(5-bromo-2-pyridinyl)-1,2,4-triazol-3-yl]methanamine

C8H8BrN5 — CID 62952242

IUPAC[1-(5-bromo-2-pyridinyl)-1,2,4-triazol-3-yl]methanamine
SMILESNCc1ncn(-c2ccc(Br)cn2)n1
InChIInChI=1S/C8H8BrN5/c9-6-1-2-8(11-4-6)14-5-12-7(3-10)13-14/h1-2,4-5H,3,10H2
InChIKeyZCZOTIFJDLDHSK-UHFFFAOYSA-N
MW254.09 g/mol
LogP0.88
Rot. Bonds2

About [1-(5-bromo-2-pyridinyl)-1,2,4-triazol-3-yl]methanamine

[1-(5-bromo-2-pyridinyl)-1,2,4-triazol-3-yl]methanamine (PubChem CID 62952242) has the molecular formula C8H8BrN5 and a molecular weight of 254.09 g/mol. Its IUPAC name is [1-(5-bromo-2-pyridinyl)-1,2,4-triazol-3-yl]methanamine.

Molecular Properties

Compound Name[1-(5-bromo-2-pyridinyl)-1,2,4-triazol-3-yl]methanamine
PubChem CID62952242
Molecular FormulaC8H8BrN5
Molecular Weight254.09 g/mol
Exact Mass253.00
IUPAC Name[1-(5-bromo-2-pyridinyl)-1,2,4-triazol-3-yl]methanamine
SMILESNCc1ncn(-c2ccc(Br)cn2)n1
InChIInChI=1S/C8H8BrN5/c9-6-1-2-8(11-4-6)14-5-12-7(3-10)13-14/h1-2,4-5H,3,10H2
InChIKeyZCZOTIFJDLDHSK-UHFFFAOYSA-N
XLogP0.88
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.09
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(5-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]methanamine
CID 62949604
(1-pyrazin-2-yl-1,2,4-triazol-3-yl)methanamine
CID 62949601
[1-(5-bromo-2-pyridinyl)imidazol-4-yl]methanol
CID 68511931
1-(5-bromo-2-pyridinyl)-3-tert-butylpyrazol-4-amine
CID 83222873
1-(5-bromo-2-pyridinyl)-3-phenylpyrazol-4-amine
CID 83222872
2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]ethanamine
CID 60869692
[3-[[4-(5-bromo-2-pyridinyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine;dihydrochloride
CID 120752650
1-(5-bromo-2-pyridinyl)-3-cyclopentylpyrazol-4-amine
CID 83223329
5-bromo-2-(2,5-dihydropyrrol-1-yl)pyridine
CID 23438624
2-[3-(5-bromo-2-pyridinyl)imidazol-4-yl]-3-methylbutan-1-amine
CID 107444003
1-(5-bromo-2-pyridinyl)-3-(1,3-thiazol-2-yl)pyrazol-4-amine
CID 83222579
[1-[(5-bromo-2-pyridinyl)methyl]imidazol-4-yl]methanamine
CID 106718140

Frequently Asked Questions

What is the IUPAC name of [1-(5-bromo-2-pyridinyl)-1,2,4-triazol-3-yl]methanamine?
The IUPAC name of [1-(5-bromo-2-pyridinyl)-1,2,4-triazol-3-yl]methanamine (CID 62952242) is [1-(5-bromo-2-pyridinyl)-1,2,4-triazol-3-yl]methanamine.
What is the SMILES notation for [1-(5-bromo-2-pyridinyl)-1,2,4-triazol-3-yl]methanamine?
The canonical SMILES for [1-(5-bromo-2-pyridinyl)-1,2,4-triazol-3-yl]methanamine is NCc1ncn(-c2ccc(Br)cn2)n1.
What is the InChIKey of [1-(5-bromo-2-pyridinyl)-1,2,4-triazol-3-yl]methanamine?
The InChIKey is ZCZOTIFJDLDHSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrN5/c9-6-1-2-8(11-4-6)14-5-12-7(3-10)13-14/h1-2,4-5H,3,10H2.
What are the key properties of [1-(5-bromo-2-pyridinyl)-1,2,4-triazol-3-yl]methanamine?
[1-(5-bromo-2-pyridinyl)-1,2,4-triazol-3-yl]methanamine has a molecular weight of 254.09 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-bromo-2-pyridinyl)-1,2,4-triazol-3-yl]methanamine is sourced from PubChem (CID 62952242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).