3-(5-fluoro-2-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-amine

C12H17FN4 — CID 134080320

IUPAC3-(5-fluoro-2-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-amine
SMILESNC1CCC2NNC(c3ccc(F)cn3)C2C1
InChIInChI=1S/C12H17FN4/c13-7-1-3-11(15-6-7)12-9-5-8(14)2-4-10(9)16-17-12/h1,3,6,8-10,12,16-17H,2,4-5,14H2
InChIKeyBLLTZFKUFFYYSI-UHFFFAOYSA-N
MW236.29 g/mol
LogP0.87
Rot. Bonds1

About 3-(5-fluoro-2-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-amine

3-(5-fluoro-2-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-amine (PubChem CID 134080320) has the molecular formula C12H17FN4 and a molecular weight of 236.29 g/mol. Its IUPAC name is 3-(5-fluoro-2-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-amine.

Molecular Properties

Compound Name3-(5-fluoro-2-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-amine
PubChem CID134080320
Molecular FormulaC12H17FN4
Molecular Weight236.29 g/mol
Exact Mass236.14
IUPAC Name3-(5-fluoro-2-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-amine
SMILESNC1CCC2NNC(c3ccc(F)cn3)C2C1
InChIInChI=1S/C12H17FN4/c13-7-1-3-11(15-6-7)12-9-5-8(14)2-4-10(9)16-17-12/h1,3,6,8-10,12,16-17H,2,4-5,14H2
InChIKeyBLLTZFKUFFYYSI-UHFFFAOYSA-N
XLogP0.87
TPSA62.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-(5-fluoro-2-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-2-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-amine?
The IUPAC name of 3-(5-fluoro-2-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-amine (CID 134080320) is 3-(5-fluoro-2-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-amine.
What is the SMILES notation for 3-(5-fluoro-2-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-amine?
The canonical SMILES for 3-(5-fluoro-2-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-amine is NC1CCC2NNC(c3ccc(F)cn3)C2C1.
What is the InChIKey of 3-(5-fluoro-2-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-amine?
The InChIKey is BLLTZFKUFFYYSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN4/c13-7-1-3-11(15-6-7)12-9-5-8(14)2-4-10(9)16-17-12/h1,3,6,8-10,12,16-17H,2,4-5,14H2.
What are the key properties of 3-(5-fluoro-2-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-amine?
3-(5-fluoro-2-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-amine has a molecular weight of 236.29 g/mol, XLogP of 0.87, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-2-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-amine is sourced from PubChem (CID 134080320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).