4-fluoro-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine

C7H6FN5S — CID 104603367

IUPAC4-fluoro-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine
SMILESCn1ncnc1Sc1cc(F)ncn1
InChIInChI=1S/C7H6FN5S/c1-13-7(11-4-12-13)14-6-2-5(8)9-3-10-6/h2-4H,1H3
InChIKeyNPPDPXFOGQFGOR-UHFFFAOYSA-N
MW211.23 g/mol
LogP0.90
Rot. Bonds2

About 4-fluoro-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine

4-fluoro-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine (PubChem CID 104603367) has the molecular formula C7H6FN5S and a molecular weight of 211.23 g/mol. Its IUPAC name is 4-fluoro-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine.

Molecular Properties

Compound Name4-fluoro-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine
PubChem CID104603367
Molecular FormulaC7H6FN5S
Molecular Weight211.23 g/mol
Exact Mass211.03
IUPAC Name4-fluoro-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine
SMILESCn1ncnc1Sc1cc(F)ncn1
InChIInChI=1S/C7H6FN5S/c1-13-7(11-4-12-13)14-6-2-5(8)9-3-10-6/h2-4H,1H3
InChIKeyNPPDPXFOGQFGOR-UHFFFAOYSA-N
XLogP0.90
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine?
The IUPAC name of 4-fluoro-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine (CID 104603367) is 4-fluoro-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine.
What is the SMILES notation for 4-fluoro-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine?
The canonical SMILES for 4-fluoro-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine is Cn1ncnc1Sc1cc(F)ncn1.
What is the InChIKey of 4-fluoro-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine?
The InChIKey is NPPDPXFOGQFGOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6FN5S/c1-13-7(11-4-12-13)14-6-2-5(8)9-3-10-6/h2-4H,1H3.
What are the key properties of 4-fluoro-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine?
4-fluoro-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine has a molecular weight of 211.23 g/mol, XLogP of 0.90, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine is sourced from PubChem (CID 104603367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).