5-bromo-2-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrimidine

C11H7BrN6S — CID 56791938

IUPAC5-bromo-2-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrimidine
SMILESBrc1cnc(Sc2n[nH]c(-c3ccccn3)n2)nc1
InChIInChI=1S/C11H7BrN6S/c12-7-5-14-10(15-6-7)19-11-16-9(17-18-11)8-3-1-2-4-13-8/h1-6H,(H,16,17,18)
InChIKeyAQTTZAZIXDEGQD-UHFFFAOYSA-N
MW335.19 g/mol
LogP2.57
Rot. Bonds3

About 5-bromo-2-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrimidine

5-bromo-2-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrimidine (PubChem CID 56791938) has the molecular formula C11H7BrN6S and a molecular weight of 335.19 g/mol. Its IUPAC name is 5-bromo-2-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrimidine.

Molecular Properties

Compound Name5-bromo-2-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrimidine
PubChem CID56791938
Molecular FormulaC11H7BrN6S
Molecular Weight335.19 g/mol
Exact Mass333.96
IUPAC Name5-bromo-2-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrimidine
SMILESBrc1cnc(Sc2n[nH]c(-c3ccccn3)n2)nc1
InChIInChI=1S/C11H7BrN6S/c12-7-5-14-10(15-6-7)19-11-16-9(17-18-11)8-3-1-2-4-13-8/h1-6H,(H,16,17,18)
InChIKeyAQTTZAZIXDEGQD-UHFFFAOYSA-N
XLogP2.57
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.19
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

5-(2-bromophenyl)-2-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-oxazole
CID 166214385
(2R)-2-phenyl-2-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 95629343
ethane;2-(3-phenyl-1H-1,2,4-triazol-5-yl)pyridine
CID 143481678
sodium 2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)pyridine
CID 22564555
5-bromo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-3-carboxamide
CID 86992070
1-phenothiazin-10-yl-2-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 3161714
2-(4-bromo-5-methyl-1H-imidazol-2-yl)pyridine
CID 83647798
2-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
CID 124506830
5-bromo-3-iodo-2H-pyrazolo[3,4-b]pyridine;2-pyridin-2-ylpyridine
CID 175125162
5-(4-bromophenyl)-4-pyridin-2-yl-1H-pyrazol-3-amine
CID 80521103
(3R)-1-(1-methylpyrazol-4-yl)-3-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrrolidin-2-one
CID 124565533
2-[3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazol-5-yl]pyridine
CID 918272

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrimidine?
The IUPAC name of 5-bromo-2-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrimidine (CID 56791938) is 5-bromo-2-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrimidine.
What is the SMILES notation for 5-bromo-2-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrimidine?
The canonical SMILES for 5-bromo-2-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrimidine is Brc1cnc(Sc2n[nH]c(-c3ccccn3)n2)nc1.
What is the InChIKey of 5-bromo-2-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrimidine?
The InChIKey is AQTTZAZIXDEGQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrN6S/c12-7-5-14-10(15-6-7)19-11-16-9(17-18-11)8-3-1-2-4-13-8/h1-6H,(H,16,17,18).
What are the key properties of 5-bromo-2-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrimidine?
5-bromo-2-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrimidine has a molecular weight of 335.19 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrimidine is sourced from PubChem (CID 56791938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).