[4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-fluoropyrimidin-2-yl]hydrazine

C12H19FN6 — CID 80930087

IUPAC[4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-fluoropyrimidin-2-yl]hydrazine
SMILESNNc1ncc(F)c(N2CCN3CCCCC3C2)n1
InChIInChI=1S/C12H19FN6/c13-10-7-15-12(17-14)16-11(10)19-6-5-18-4-2-1-3-9(18)8-19/h7,9H,1-6,8,14H2,(H,15,16,17)
InChIKeyKLXIBCFVDCAZTG-UHFFFAOYSA-N
MW266.32 g/mol
LogP0.58
Rot. Bonds2

About [4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-fluoropyrimidin-2-yl]hydrazine

[4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-fluoropyrimidin-2-yl]hydrazine (PubChem CID 80930087) has the molecular formula C12H19FN6 and a molecular weight of 266.32 g/mol. Its IUPAC name is [4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-fluoropyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-fluoropyrimidin-2-yl]hydrazine
PubChem CID80930087
Molecular FormulaC12H19FN6
Molecular Weight266.32 g/mol
Exact Mass266.17
IUPAC Name[4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-fluoropyrimidin-2-yl]hydrazine
SMILESNNc1ncc(F)c(N2CCN3CCCCC3C2)n1
InChIInChI=1S/C12H19FN6/c13-10-7-15-12(17-14)16-11(10)19-6-5-18-4-2-1-3-9(18)8-19/h7,9H,1-6,8,14H2,(H,15,16,17)
InChIKeyKLXIBCFVDCAZTG-UHFFFAOYSA-N
XLogP0.58
TPSA70.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

1-(5-fluoro-2-hydrazinylpyrimidin-4-yl)piperidine-3-carboxamide
CID 80918438
4-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-5-fluoropyrimidin-2-amine
CID 80831677
1-(5-fluoro-2-hydrazinylpyrimidin-4-yl)pyrrolidine-3,4-diol
CID 106674672
[5-fluoro-4-(4-methylpiperazin-1-yl)pyrimidin-2-yl]hydrazine
CID 80927536
[5-fluoro-4-(4-methylazepan-1-yl)pyrimidin-2-yl]hydrazine
CID 80910776
[5-fluoro-4-(4-propylazepan-1-yl)pyrimidin-2-yl]hydrazine
CID 80917723
[4-(3-azaspiro[5.5]undecan-3-yl)-5-fluoropyrimidin-2-yl]hydrazine
CID 80918943
4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-5-bromo-N-methylpyrimidin-2-amine
CID 80854580
4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-5-chloro-N-methylpyrimidin-2-amine
CID 80854578
N-ethyl-5-fluoro-4-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyrimidin-2-amine
CID 80837896
N-(5-fluoro-2-hydrazinylpyrimidin-4-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 80904257
N-[2-(1-cyclopentylpiperidin-4-yl)ethyl]-5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-amine
CID 134707239

Frequently Asked Questions

What is the IUPAC name of [4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-fluoropyrimidin-2-yl]hydrazine?
The IUPAC name of [4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-fluoropyrimidin-2-yl]hydrazine (CID 80930087) is [4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-fluoropyrimidin-2-yl]hydrazine.
What is the SMILES notation for [4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-fluoropyrimidin-2-yl]hydrazine?
The canonical SMILES for [4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-fluoropyrimidin-2-yl]hydrazine is NNc1ncc(F)c(N2CCN3CCCCC3C2)n1.
What is the InChIKey of [4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-fluoropyrimidin-2-yl]hydrazine?
The InChIKey is KLXIBCFVDCAZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN6/c13-10-7-15-12(17-14)16-11(10)19-6-5-18-4-2-1-3-9(18)8-19/h7,9H,1-6,8,14H2,(H,15,16,17).
What are the key properties of [4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-fluoropyrimidin-2-yl]hydrazine?
[4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-fluoropyrimidin-2-yl]hydrazine has a molecular weight of 266.32 g/mol, XLogP of 0.58, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-fluoropyrimidin-2-yl]hydrazine is sourced from PubChem (CID 80930087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).