[5-fluoro-4-(1H-1,2,4-triazol-5-ylsulfanyl)pyrimidin-2-yl]hydrazine

C6H6FN7S — CID 80921270

IUPAC[5-fluoro-4-(1H-1,2,4-triazol-5-ylsulfanyl)pyrimidin-2-yl]hydrazine
SMILESNNc1ncc(F)c(Sc2ncn[nH]2)n1
InChIInChI=1S/C6H6FN7S/c7-3-1-9-5(13-8)12-4(3)15-6-10-2-11-14-6/h1-2H,8H2,(H,9,12,13)(H,10,11,14)
InChIKeyRQEZUNOPYCWNMT-UHFFFAOYSA-N
MW227.23 g/mol
LogP0.17
Rot. Bonds3

About [5-fluoro-4-(1H-1,2,4-triazol-5-ylsulfanyl)pyrimidin-2-yl]hydrazine

[5-fluoro-4-(1H-1,2,4-triazol-5-ylsulfanyl)pyrimidin-2-yl]hydrazine (PubChem CID 80921270) has the molecular formula C6H6FN7S and a molecular weight of 227.23 g/mol. Its IUPAC name is [5-fluoro-4-(1H-1,2,4-triazol-5-ylsulfanyl)pyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[5-fluoro-4-(1H-1,2,4-triazol-5-ylsulfanyl)pyrimidin-2-yl]hydrazine
PubChem CID80921270
Molecular FormulaC6H6FN7S
Molecular Weight227.23 g/mol
Exact Mass227.04
IUPAC Name[5-fluoro-4-(1H-1,2,4-triazol-5-ylsulfanyl)pyrimidin-2-yl]hydrazine
SMILESNNc1ncc(F)c(Sc2ncn[nH]2)n1
InChIInChI=1S/C6H6FN7S/c7-3-1-9-5(13-8)12-4(3)15-6-10-2-11-14-6/h1-2H,8H2,(H,9,12,13)(H,10,11,14)
InChIKeyRQEZUNOPYCWNMT-UHFFFAOYSA-N
XLogP0.17
TPSA105.40 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [5-fluoro-4-(1H-1,2,4-triazol-5-ylsulfanyl)pyrimidin-2-yl]hydrazine?
The IUPAC name of [5-fluoro-4-(1H-1,2,4-triazol-5-ylsulfanyl)pyrimidin-2-yl]hydrazine (CID 80921270) is [5-fluoro-4-(1H-1,2,4-triazol-5-ylsulfanyl)pyrimidin-2-yl]hydrazine.
What is the SMILES notation for [5-fluoro-4-(1H-1,2,4-triazol-5-ylsulfanyl)pyrimidin-2-yl]hydrazine?
The canonical SMILES for [5-fluoro-4-(1H-1,2,4-triazol-5-ylsulfanyl)pyrimidin-2-yl]hydrazine is NNc1ncc(F)c(Sc2ncn[nH]2)n1.
What is the InChIKey of [5-fluoro-4-(1H-1,2,4-triazol-5-ylsulfanyl)pyrimidin-2-yl]hydrazine?
The InChIKey is RQEZUNOPYCWNMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6FN7S/c7-3-1-9-5(13-8)12-4(3)15-6-10-2-11-14-6/h1-2H,8H2,(H,9,12,13)(H,10,11,14).
What are the key properties of [5-fluoro-4-(1H-1,2,4-triazol-5-ylsulfanyl)pyrimidin-2-yl]hydrazine?
[5-fluoro-4-(1H-1,2,4-triazol-5-ylsulfanyl)pyrimidin-2-yl]hydrazine has a molecular weight of 227.23 g/mol, XLogP of 0.17, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-fluoro-4-(1H-1,2,4-triazol-5-ylsulfanyl)pyrimidin-2-yl]hydrazine is sourced from PubChem (CID 80921270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).