[5-fluoro-4-(1-methyltetrazol-5-yl)sulfanylpyrimidin-2-yl]hydrazine

C6H7FN8S — CID 80922179

IUPAC[5-fluoro-4-(1-methyltetrazol-5-yl)sulfanylpyrimidin-2-yl]hydrazine
SMILESCn1nnnc1Sc1nc(NN)ncc1F
InChIInChI=1S/C6H7FN8S/c1-15-6(12-13-14-15)16-4-3(7)2-9-5(10-4)11-8/h2H,8H2,1H3,(H,9,10,11)
InChIKeyUKBXICJVNWFGGN-UHFFFAOYSA-N
MW242.24 g/mol
LogP-0.42
Rot. Bonds3

About [5-fluoro-4-(1-methyltetrazol-5-yl)sulfanylpyrimidin-2-yl]hydrazine

[5-fluoro-4-(1-methyltetrazol-5-yl)sulfanylpyrimidin-2-yl]hydrazine (PubChem CID 80922179) has the molecular formula C6H7FN8S and a molecular weight of 242.24 g/mol. Its IUPAC name is [5-fluoro-4-(1-methyltetrazol-5-yl)sulfanylpyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[5-fluoro-4-(1-methyltetrazol-5-yl)sulfanylpyrimidin-2-yl]hydrazine
PubChem CID80922179
Molecular FormulaC6H7FN8S
Molecular Weight242.24 g/mol
Exact Mass242.05
IUPAC Name[5-fluoro-4-(1-methyltetrazol-5-yl)sulfanylpyrimidin-2-yl]hydrazine
SMILESCn1nnnc1Sc1nc(NN)ncc1F
InChIInChI=1S/C6H7FN8S/c1-15-6(12-13-14-15)16-4-3(7)2-9-5(10-4)11-8/h2H,8H2,1H3,(H,9,10,11)
InChIKeyUKBXICJVNWFGGN-UHFFFAOYSA-N
XLogP-0.42
TPSA107.43 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

2-Chloro-4-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-fluoropyrimidine
CID 79075265
5-(2-chloro-5-fluoropyrimidin-4-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 79075270
2-chloro-5-fluoro-4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrimidine
CID 79075485
2-Chloro-5-fluoro-4-(1-methyltetrazol-5-yl)sulfanylpyrimidine
CID 79075593
2-chloro-5-fluoro-4-(1H-1,2,4-triazol-5-ylsulfanyl)pyrimidine
CID 79075705
2-Chloro-5-fluoro-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine
CID 79076832
5-(2-amino-5-fluoropyrimidin-4-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 80882418
5-[5-fluoro-2-(methylamino)pyrimidin-4-yl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 80882527
4-(1-cyclopentyltetrazol-5-yl)sulfanyl-5-fluoro-N-methylpyrimidin-2-amine
CID 80882565
5-fluoro-N-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-2-amine
CID 80882688
N-ethyl-5-fluoro-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-2-amine
CID 80882691
5-[5-fluoro-2-(propylamino)pyrimidin-4-yl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 80882932

Frequently Asked Questions

What is the IUPAC name of [5-fluoro-4-(1-methyltetrazol-5-yl)sulfanylpyrimidin-2-yl]hydrazine?
The IUPAC name of [5-fluoro-4-(1-methyltetrazol-5-yl)sulfanylpyrimidin-2-yl]hydrazine (CID 80922179) is [5-fluoro-4-(1-methyltetrazol-5-yl)sulfanylpyrimidin-2-yl]hydrazine.
What is the SMILES notation for [5-fluoro-4-(1-methyltetrazol-5-yl)sulfanylpyrimidin-2-yl]hydrazine?
The canonical SMILES for [5-fluoro-4-(1-methyltetrazol-5-yl)sulfanylpyrimidin-2-yl]hydrazine is Cn1nnnc1Sc1nc(NN)ncc1F.
What is the InChIKey of [5-fluoro-4-(1-methyltetrazol-5-yl)sulfanylpyrimidin-2-yl]hydrazine?
The InChIKey is UKBXICJVNWFGGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7FN8S/c1-15-6(12-13-14-15)16-4-3(7)2-9-5(10-4)11-8/h2H,8H2,1H3,(H,9,10,11).
What are the key properties of [5-fluoro-4-(1-methyltetrazol-5-yl)sulfanylpyrimidin-2-yl]hydrazine?
[5-fluoro-4-(1-methyltetrazol-5-yl)sulfanylpyrimidin-2-yl]hydrazine has a molecular weight of 242.24 g/mol, XLogP of -0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [5-fluoro-4-(1-methyltetrazol-5-yl)sulfanylpyrimidin-2-yl]hydrazine is sourced from PubChem (CID 80922179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).