2-chloro-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine

C7H6ClN5S — CID 104603418

IUPAC2-chloro-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine
SMILESCn1ncnc1Sc1ccnc(Cl)n1
InChIInChI=1S/C7H6ClN5S/c1-13-7(10-4-11-13)14-5-2-3-9-6(8)12-5/h2-4H,1H3
InChIKeyFBBOGSIFQOMDSL-UHFFFAOYSA-N
MW227.68 g/mol
LogP1.41
Rot. Bonds2

About 2-chloro-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine

2-chloro-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine (PubChem CID 104603418) has the molecular formula C7H6ClN5S and a molecular weight of 227.68 g/mol. Its IUPAC name is 2-chloro-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine.

Molecular Properties

Compound Name2-chloro-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine
PubChem CID104603418
Molecular FormulaC7H6ClN5S
Molecular Weight227.68 g/mol
Exact Mass227.00
IUPAC Name2-chloro-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine
SMILESCn1ncnc1Sc1ccnc(Cl)n1
InChIInChI=1S/C7H6ClN5S/c1-13-7(10-4-11-13)14-5-2-3-9-6(8)12-5/h2-4H,1H3
InChIKeyFBBOGSIFQOMDSL-UHFFFAOYSA-N
XLogP1.41
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.68
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-4-(1-methyltetrazol-5-yl)sulfanylpyrimidine
CID 60726872
N-ethyl-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-2-amine
CID 104604948
2-chloro-3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrazine
CID 104603377
2-chloro-4-pyrimidin-4-ylsulfanylpyrimidine
CID 63697644
2-chloro-5,6-dimethyl-3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrazine
CID 104603400
4-chloro-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-1,3,5-triazin-2-amine
CID 104604953
2-chloro-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-4-carboxylic acid
CID 104602659
2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine-4-carbonitrile
CID 107551511
4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridin-2-amine
CID 104604869
6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-propan-2-yloxypyridin-3-amine
CID 104602837
2-chloro-4-(2-methylphenyl)sulfanylpyrimidine
CID 62342676
(1R)-1-[3-chloro-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]ethanol
CID 113431914

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine?
The IUPAC name of 2-chloro-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine (CID 104603418) is 2-chloro-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine.
What is the SMILES notation for 2-chloro-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine?
The canonical SMILES for 2-chloro-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine is Cn1ncnc1Sc1ccnc(Cl)n1.
What is the InChIKey of 2-chloro-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine?
The InChIKey is FBBOGSIFQOMDSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClN5S/c1-13-7(10-4-11-13)14-5-2-3-9-6(8)12-5/h2-4H,1H3.
What are the key properties of 2-chloro-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine?
2-chloro-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine has a molecular weight of 227.68 g/mol, XLogP of 1.41, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine is sourced from PubChem (CID 104603418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).