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

C11H9FN8S — CID 80924162

IUPAC[5-fluoro-4-(1-phenyltetrazol-5-yl)sulfanylpyrimidin-2-yl]hydrazine
SMILESNNc1ncc(F)c(Sc2nnnn2-c2ccccc2)n1
InChIInChI=1S/C11H9FN8S/c12-8-6-14-10(16-13)15-9(8)21-11-17-18-19-20(11)7-4-2-1-3-5-7/h1-6H,13H2,(H,14,15,16)
InChIKeyDXBLELRGFQLRJB-UHFFFAOYSA-N
MW304.31 g/mol
LogP1.03
Rot. Bonds4

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

[5-fluoro-4-(1-phenyltetrazol-5-yl)sulfanylpyrimidin-2-yl]hydrazine (PubChem CID 80924162) has the molecular formula C11H9FN8S and a molecular weight of 304.31 g/mol. Its IUPAC name is [5-fluoro-4-(1-phenyltetrazol-5-yl)sulfanylpyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[5-fluoro-4-(1-phenyltetrazol-5-yl)sulfanylpyrimidin-2-yl]hydrazine
PubChem CID80924162
Molecular FormulaC11H9FN8S
Molecular Weight304.31 g/mol
Exact Mass304.07
IUPAC Name[5-fluoro-4-(1-phenyltetrazol-5-yl)sulfanylpyrimidin-2-yl]hydrazine
SMILESNNc1ncc(F)c(Sc2nnnn2-c2ccccc2)n1
InChIInChI=1S/C11H9FN8S/c12-8-6-14-10(16-13)15-9(8)21-11-17-18-19-20(11)7-4-2-1-3-5-7/h1-6H,13H2,(H,14,15,16)
InChIKeyDXBLELRGFQLRJB-UHFFFAOYSA-N
XLogP1.03
TPSA107.43 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 51.03
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-methyl-5-{[(1-phenyl-1H-tetrazol-5-yl)thio]methyl}-4-pyrimidinamine
CID 1253683
[4-(2-Amino-4-methyl-thiazol-5-yl)-pyrimidin-2-yl]-(4-fluoro-phenyl)-amine
CID 9857535
5-[2-(3-Fluoroanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-amine
CID 9944182
CID 89081996
CID 89081996
4-(5-Fluoropyrimidin-2-yl)sulfanylaniline
CID 104606505
4-[2-(4-Fluorophenyl)-1,3-dihydropyrazol-5-yl]-2-methylsulfanylpyrimidine
CID 141064510
1-phenyl-1H-tetraazol-5-yl 4-pyridinyl sulfide
CID 777479
2-[(1-Phenyl-1 H-tetrazol-5-yl)sulfanyl]pyrimidine
CID 117062256
2-({[1-(4-fluorophenyl)-1H-tetrazol-5-yl]methyl}sulfanyl)pyridine
CID 16460743
N-(3-fluorophenyl)-5-pyrimidin-2-ylsulfanyl-1,3,4-thiadiazol-2-amine
CID 18156168
N-(4-fluorophenyl)-5-pyrimidin-2-ylsulfanyl-1,3,4-thiadiazol-2-amine
CID 18156174
3-Fluoro-4-pyrimidin-2-ylsulfanylaniline
CID 28972800

Frequently Asked Questions

What is the IUPAC name of [5-fluoro-4-(1-phenyltetrazol-5-yl)sulfanylpyrimidin-2-yl]hydrazine?
The IUPAC name of [5-fluoro-4-(1-phenyltetrazol-5-yl)sulfanylpyrimidin-2-yl]hydrazine (CID 80924162) is [5-fluoro-4-(1-phenyltetrazol-5-yl)sulfanylpyrimidin-2-yl]hydrazine.
What is the SMILES notation for [5-fluoro-4-(1-phenyltetrazol-5-yl)sulfanylpyrimidin-2-yl]hydrazine?
The canonical SMILES for [5-fluoro-4-(1-phenyltetrazol-5-yl)sulfanylpyrimidin-2-yl]hydrazine is NNc1ncc(F)c(Sc2nnnn2-c2ccccc2)n1.
What is the InChIKey of [5-fluoro-4-(1-phenyltetrazol-5-yl)sulfanylpyrimidin-2-yl]hydrazine?
The InChIKey is DXBLELRGFQLRJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN8S/c12-8-6-14-10(16-13)15-9(8)21-11-17-18-19-20(11)7-4-2-1-3-5-7/h1-6H,13H2,(H,14,15,16).
What are the key properties of [5-fluoro-4-(1-phenyltetrazol-5-yl)sulfanylpyrimidin-2-yl]hydrazine?
[5-fluoro-4-(1-phenyltetrazol-5-yl)sulfanylpyrimidin-2-yl]hydrazine has a molecular weight of 304.31 g/mol, XLogP of 1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [5-fluoro-4-(1-phenyltetrazol-5-yl)sulfanylpyrimidin-2-yl]hydrazine is sourced from PubChem (CID 80924162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).