5-benzyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-3-amine;hydrochloride

C13H21ClN4 — CID 76845457

IUPAC5-benzyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-3-amine;hydrochloride
SMILESCl.NC1NNC2CCN(Cc3ccccc3)CC12
InChIInChI=1S/C13H20N4.ClH/c14-13-11-9-17(7-6-12(11)15-16-13)8-10-4-2-1-3-5-10;/h1-5,11-13,15-16H,6-9,14H2;1H
InChIKeyXEBROWYGTPUSCH-UHFFFAOYSA-N
MW268.79 g/mol
LogP0.69
Rot. Bonds2

About 5-benzyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-3-amine;hydrochloride

5-benzyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-3-amine;hydrochloride (PubChem CID 76845457) has the molecular formula C13H21ClN4 and a molecular weight of 268.79 g/mol. Its IUPAC name is 5-benzyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-3-amine;hydrochloride.

Molecular Properties

Compound Name5-benzyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-3-amine;hydrochloride
PubChem CID76845457
Molecular FormulaC13H21ClN4
Molecular Weight268.79 g/mol
Exact Mass268.15
IUPAC Name5-benzyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-3-amine;hydrochloride
SMILESCl.NC1NNC2CCN(Cc3ccccc3)CC12
InChIInChI=1S/C13H20N4.ClH/c14-13-11-9-17(7-6-12(11)15-16-13)8-10-4-2-1-3-5-10;/h1-5,11-13,15-16H,6-9,14H2;1H
InChIKeyXEBROWYGTPUSCH-UHFFFAOYSA-N
XLogP0.69
TPSA53.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-benzyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-3-amine;hydrochloride with MolForge

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Related Compounds

(3S,4R)-4-amino-1-benzylpiperidin-3-ol;hydrochloride
CID 67227523
(3R,4R)-4-amino-1-benzylpiperidin-3-ol;dihydrochloride
CID 163338239
CID 58171508
CID 58171508
2-benzyl-1,3,4,4a,5,9b-hexahydropyrido[4,3-b]indole;dihydrochloride
CID 146675580
(6-benzyl-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridin-4-yl)methanol
CID 83920140
(3S,4S)-1-benzyl-3-methylpiperidin-4-amine
CID 34178997
O-(1-benzylpyrrolidin-3-yl)hydroxylamine;hydrochloride
CID 142714057
1-[(3R)-1-benzylpyrrolidin-3-yl]cyclopropan-1-amine
CID 11171961
5-benzyl-2-(2,6-difluorophenyl)-3-fluoro-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridine
CID 123772241
[(1R,5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]methanamine
CID 98160357
(1-benzylpyrrolidin-3-yl)methanol;hydrochloride
CID 75485238
1-benzylpiperidin-4-amine;piperazine
CID 68641719

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-3-amine;hydrochloride?
The IUPAC name of 5-benzyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-3-amine;hydrochloride (CID 76845457) is 5-benzyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-3-amine;hydrochloride.
What is the SMILES notation for 5-benzyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-3-amine;hydrochloride?
The canonical SMILES for 5-benzyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-3-amine;hydrochloride is Cl.NC1NNC2CCN(Cc3ccccc3)CC12.
What is the InChIKey of 5-benzyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-3-amine;hydrochloride?
The InChIKey is XEBROWYGTPUSCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4.ClH/c14-13-11-9-17(7-6-12(11)15-16-13)8-10-4-2-1-3-5-10;/h1-5,11-13,15-16H,6-9,14H2;1H.
What are the key properties of 5-benzyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-3-amine;hydrochloride?
5-benzyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-3-amine;hydrochloride has a molecular weight of 268.79 g/mol, XLogP of 0.69, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-3-amine;hydrochloride is sourced from PubChem (CID 76845457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).