[4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-5-fluoropyrimidin-2-yl]hydrazine

C12H14FN7S — CID 80925207

IUPAC[4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-5-fluoropyrimidin-2-yl]hydrazine
SMILESNNc1ncc(F)c(Sc2nnc(C3CC3)n2C2CC2)n1
InChIInChI=1S/C12H14FN7S/c13-8-5-15-11(17-14)16-10(8)21-12-19-18-9(6-1-2-6)20(12)7-3-4-7/h5-7H,1-4,14H2,(H,15,16,17)
InChIKeyNIFDFXLVOXIEES-UHFFFAOYSA-N
MW307.36 g/mol
LogP1.86
Rot. Bonds5

About [4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-5-fluoropyrimidin-2-yl]hydrazine

[4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-5-fluoropyrimidin-2-yl]hydrazine (PubChem CID 80925207) has the molecular formula C12H14FN7S and a molecular weight of 307.36 g/mol. Its IUPAC name is [4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-5-fluoropyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-5-fluoropyrimidin-2-yl]hydrazine
PubChem CID80925207
Molecular FormulaC12H14FN7S
Molecular Weight307.36 g/mol
Exact Mass307.10
IUPAC Name[4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-5-fluoropyrimidin-2-yl]hydrazine
SMILESNNc1ncc(F)c(Sc2nnc(C3CC3)n2C2CC2)n1
InChIInChI=1S/C12H14FN7S/c13-8-5-15-11(17-14)16-10(8)21-12-19-18-9(6-1-2-6)20(12)7-3-4-7/h5-7H,1-4,14H2,(H,15,16,17)
InChIKeyNIFDFXLVOXIEES-UHFFFAOYSA-N
XLogP1.86
TPSA94.54 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze [4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-5-fluoropyrimidin-2-yl]hydrazine with MolForge

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Related Compounds

2-Chloro-4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-5-fluoropyrimidine
CID 79081041
4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-5-fluoro-N-methylpyrimidin-2-amine
CID 80872852
4-[(4,5-Dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-5-fluoropyrimidin-2-amine
CID 80873220
5-fluoro-4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-propylpyrimidin-2-amine
CID 80885514
5-fluoro-N-methyl-4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-2-amine
CID 80886066
N-ethyl-5-fluoro-4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-2-amine
CID 80886067
5-fluoro-4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-2-amine
CID 80886436
4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-ethyl-5-fluoropyrimidin-2-amine
CID 80888934
4-[(4,5-Dimethyl-1,2,4-triazol-3-yl)sulfanyl]-5-fluoropyrimidin-2-amine
CID 80889287
4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-5-fluoro-N-methylpyrimidin-2-amine
CID 80889369
4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-5-fluoro-N-propylpyrimidin-2-amine
CID 80889536
4-(1-Cyclopropyltetrazol-5-yl)sulfanyl-5-fluoropyrimidin-2-amine
CID 80893104

Frequently Asked Questions

What is the IUPAC name of [4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-5-fluoropyrimidin-2-yl]hydrazine?
The IUPAC name of [4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-5-fluoropyrimidin-2-yl]hydrazine (CID 80925207) is [4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-5-fluoropyrimidin-2-yl]hydrazine.
What is the SMILES notation for [4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-5-fluoropyrimidin-2-yl]hydrazine?
The canonical SMILES for [4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-5-fluoropyrimidin-2-yl]hydrazine is NNc1ncc(F)c(Sc2nnc(C3CC3)n2C2CC2)n1.
What is the InChIKey of [4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-5-fluoropyrimidin-2-yl]hydrazine?
The InChIKey is NIFDFXLVOXIEES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN7S/c13-8-5-15-11(17-14)16-10(8)21-12-19-18-9(6-1-2-6)20(12)7-3-4-7/h5-7H,1-4,14H2,(H,15,16,17).
What are the key properties of [4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-5-fluoropyrimidin-2-yl]hydrazine?
[4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-5-fluoropyrimidin-2-yl]hydrazine has a molecular weight of 307.36 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-5-fluoropyrimidin-2-yl]hydrazine is sourced from PubChem (CID 80925207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).