1,2,3,3a,4,6,7,7a-octahydropyrano[4,3-c]pyrazole;hydrochloride

C6H13ClN2O — CID 170905962

IUPAC1,2,3,3a,4,6,7,7a-octahydropyrano[4,3-c]pyrazole;hydrochloride
SMILESC1CC2NNCC2CO1.Cl
InChIInChI=1S/C6H12N2O.ClH/c1-2-9-4-5-3-7-8-6(1)5;/h5-8H,1-4H2;1H
InChIKeyPRCJMLBXWWGATP-UHFFFAOYSA-N
MW164.64 g/mol
LogP-0.08
Rot. Bonds

About 1,2,3,3a,4,6,7,7a-octahydropyrano[4,3-c]pyrazole;hydrochloride

1,2,3,3a,4,6,7,7a-octahydropyrano[4,3-c]pyrazole;hydrochloride (PubChem CID 170905962) has the molecular formula C6H13ClN2O and a molecular weight of 164.64 g/mol. Its IUPAC name is 1,2,3,3a,4,6,7,7a-octahydropyrano[4,3-c]pyrazole;hydrochloride.

Molecular Properties

Compound Name1,2,3,3a,4,6,7,7a-octahydropyrano[4,3-c]pyrazole;hydrochloride
PubChem CID170905962
Molecular FormulaC6H13ClN2O
Molecular Weight164.64 g/mol
Exact Mass164.07
IUPAC Name1,2,3,3a,4,6,7,7a-octahydropyrano[4,3-c]pyrazole;hydrochloride
SMILESC1CC2NNCC2CO1.Cl
InChIInChI=1S/C6H12N2O.ClH/c1-2-9-4-5-3-7-8-6(1)5;/h5-8H,1-4H2;1H
InChIKeyPRCJMLBXWWGATP-UHFFFAOYSA-N
XLogP-0.08
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.64
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1,2,3,3a,4,6,7,7a-octahydropyrano[4,3-c]pyrazole;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4aS,8aS)-2,3,4,4a,5,7,8,8a-octahydro-1H-pyrano[4,3-b]pyridine
CID 92794225
5-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole;hydrochloride
CID 170905820
(1R,6R)-3-oxa-7-azabicyclo[4.1.0]heptane
CID 55298686
2-methyl-1,2,3,3a,4,6,7,7a-octahydropyrano[4,3-b]pyrrole
CID 82418034
(3S)-3-[(3R)-oxolan-3-yl]pyrrolidine
CID 94398019
CID 170516792
CID 170516792
(3S)-3-[(2R)-oxiran-2-yl]oxolane
CID 94590793
(3R)-oxolan-3-ol;hydrochloride
CID 101043602
2,3,4,4a,5,6,8,8a-octahydro-1H-pyrano[3,4-b]pyridine-3-carboxylic acid
CID 83817432
ethyl 2,3,4,4a,5,7,8,8a-octahydro-1H-pyrano[4,3-b]pyridine-3-carboxylate
CID 117272841
(4aS,8aS)-1,2,3,4a,5,7,8,8a-octahydropyrano[3,4-b][1,4]oxazine;hydrochloride
CID 112756865
2-(oxolan-3-yl)-1,3-oxazolidine;hydrochloride
CID 117225597

Frequently Asked Questions

What is the IUPAC name of 1,2,3,3a,4,6,7,7a-octahydropyrano[4,3-c]pyrazole;hydrochloride?
The IUPAC name of 1,2,3,3a,4,6,7,7a-octahydropyrano[4,3-c]pyrazole;hydrochloride (CID 170905962) is 1,2,3,3a,4,6,7,7a-octahydropyrano[4,3-c]pyrazole;hydrochloride.
What is the SMILES notation for 1,2,3,3a,4,6,7,7a-octahydropyrano[4,3-c]pyrazole;hydrochloride?
The canonical SMILES for 1,2,3,3a,4,6,7,7a-octahydropyrano[4,3-c]pyrazole;hydrochloride is C1CC2NNCC2CO1.Cl.
What is the InChIKey of 1,2,3,3a,4,6,7,7a-octahydropyrano[4,3-c]pyrazole;hydrochloride?
The InChIKey is PRCJMLBXWWGATP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O.ClH/c1-2-9-4-5-3-7-8-6(1)5;/h5-8H,1-4H2;1H.
What are the key properties of 1,2,3,3a,4,6,7,7a-octahydropyrano[4,3-c]pyrazole;hydrochloride?
1,2,3,3a,4,6,7,7a-octahydropyrano[4,3-c]pyrazole;hydrochloride has a molecular weight of 164.64 g/mol, XLogP of -0.08, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,3a,4,6,7,7a-octahydropyrano[4,3-c]pyrazole;hydrochloride is sourced from PubChem (CID 170905962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).