3-pyridin-4-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-amine

C12H18N4 — CID 71302831

IUPAC3-pyridin-4-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-amine
SMILESNC1CCC2NNC(c3ccncc3)C2C1
InChIInChI=1S/C12H18N4/c13-9-1-2-11-10(7-9)12(16-15-11)8-3-5-14-6-4-8/h3-6,9-12,15-16H,1-2,7,13H2
InChIKeyZMNXIMWYPCAXLL-UHFFFAOYSA-N
MW218.30 g/mol
LogP0.73
Rot. Bonds1

About 3-pyridin-4-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-amine

3-pyridin-4-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-amine (PubChem CID 71302831) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is 3-pyridin-4-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-amine.

Molecular Properties

Compound Name3-pyridin-4-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-amine
PubChem CID71302831
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC Name3-pyridin-4-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-amine
SMILESNC1CCC2NNC(c3ccncc3)C2C1
InChIInChI=1S/C12H18N4/c13-9-1-2-11-10(7-9)12(16-15-11)8-3-5-14-6-4-8/h3-6,9-12,15-16H,1-2,7,13H2
InChIKeyZMNXIMWYPCAXLL-UHFFFAOYSA-N
XLogP0.73
TPSA62.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-pyridin-4-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-amine?
The IUPAC name of 3-pyridin-4-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-amine (CID 71302831) is 3-pyridin-4-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-amine.
What is the SMILES notation for 3-pyridin-4-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-amine?
The canonical SMILES for 3-pyridin-4-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-amine is NC1CCC2NNC(c3ccncc3)C2C1.
What is the InChIKey of 3-pyridin-4-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-amine?
The InChIKey is ZMNXIMWYPCAXLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4/c13-9-1-2-11-10(7-9)12(16-15-11)8-3-5-14-6-4-8/h3-6,9-12,15-16H,1-2,7,13H2.
What are the key properties of 3-pyridin-4-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-amine?
3-pyridin-4-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-amine has a molecular weight of 218.30 g/mol, XLogP of 0.73, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-4-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-amine is sourced from PubChem (CID 71302831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).