2-(5-bromo-3-methyltriazol-4-yl)pyridin-3-amine

C8H8BrN5 — CID 106463214

IUPAC2-(5-bromo-3-methyltriazol-4-yl)pyridin-3-amine
SMILESCn1nnc(Br)c1-c1ncccc1N
InChIInChI=1S/C8H8BrN5/c1-14-7(8(9)12-13-14)6-5(10)3-2-4-11-6/h2-4H,10H2,1H3
InChIKeyBVGZQDQYKDSOEL-UHFFFAOYSA-N
MW254.09 g/mol
LogP1.22
Rot. Bonds1

About 2-(5-bromo-3-methyltriazol-4-yl)pyridin-3-amine

2-(5-bromo-3-methyltriazol-4-yl)pyridin-3-amine (PubChem CID 106463214) has the molecular formula C8H8BrN5 and a molecular weight of 254.09 g/mol. Its IUPAC name is 2-(5-bromo-3-methyltriazol-4-yl)pyridin-3-amine.

Molecular Properties

Compound Name2-(5-bromo-3-methyltriazol-4-yl)pyridin-3-amine
PubChem CID106463214
Molecular FormulaC8H8BrN5
Molecular Weight254.09 g/mol
Exact Mass253.00
IUPAC Name2-(5-bromo-3-methyltriazol-4-yl)pyridin-3-amine
SMILESCn1nnc(Br)c1-c1ncccc1N
InChIInChI=1S/C8H8BrN5/c1-14-7(8(9)12-13-14)6-5(10)3-2-4-11-6/h2-4H,10H2,1H3
InChIKeyBVGZQDQYKDSOEL-UHFFFAOYSA-N
XLogP1.22
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 ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-3-methyltriazol-4-yl)pyridin-3-amine?
The IUPAC name of 2-(5-bromo-3-methyltriazol-4-yl)pyridin-3-amine (CID 106463214) is 2-(5-bromo-3-methyltriazol-4-yl)pyridin-3-amine.
What is the SMILES notation for 2-(5-bromo-3-methyltriazol-4-yl)pyridin-3-amine?
The canonical SMILES for 2-(5-bromo-3-methyltriazol-4-yl)pyridin-3-amine is Cn1nnc(Br)c1-c1ncccc1N.
What is the InChIKey of 2-(5-bromo-3-methyltriazol-4-yl)pyridin-3-amine?
The InChIKey is BVGZQDQYKDSOEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrN5/c1-14-7(8(9)12-13-14)6-5(10)3-2-4-11-6/h2-4H,10H2,1H3.
What are the key properties of 2-(5-bromo-3-methyltriazol-4-yl)pyridin-3-amine?
2-(5-bromo-3-methyltriazol-4-yl)pyridin-3-amine has a molecular weight of 254.09 g/mol, XLogP of 1.22, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-3-methyltriazol-4-yl)pyridin-3-amine is sourced from PubChem (CID 106463214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).