1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)ethanamine;dihydrochloride

C9H17Cl2N3 — CID 122149390

IUPAC1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)ethanamine;dihydrochloride
SMILESCC(N)c1cc2n(n1)CCCC2.Cl.Cl
InChIInChI=1S/C9H15N3.2ClH/c1-7(10)9-6-8-4-2-3-5-12(8)11-9;;/h6-7H,2-5,10H2,1H3;2*1H
InChIKeyHKJOONLKKBBAIW-UHFFFAOYSA-N
MW238.16 g/mol
LogP2.08
Rot. Bonds1

About 1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)ethanamine;dihydrochloride

1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)ethanamine;dihydrochloride (PubChem CID 122149390) has the molecular formula C9H17Cl2N3 and a molecular weight of 238.16 g/mol. Its IUPAC name is 1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)ethanamine;dihydrochloride.

Molecular Properties

Compound Name1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)ethanamine;dihydrochloride
PubChem CID122149390
Molecular FormulaC9H17Cl2N3
Molecular Weight238.16 g/mol
Exact Mass237.08
IUPAC Name1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)ethanamine;dihydrochloride
SMILESCC(N)c1cc2n(n1)CCCC2.Cl.Cl
InChIInChI=1S/C9H15N3.2ClH/c1-7(10)9-6-8-4-2-3-5-12(8)11-9;;/h6-7H,2-5,10H2,1H3;2*1H
InChIKeyHKJOONLKKBBAIW-UHFFFAOYSA-N
XLogP2.08
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.16
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)ethanamine;dihydrochloride?
The IUPAC name of 1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)ethanamine;dihydrochloride (CID 122149390) is 1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)ethanamine;dihydrochloride.
What is the SMILES notation for 1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)ethanamine;dihydrochloride?
The canonical SMILES for 1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)ethanamine;dihydrochloride is CC(N)c1cc2n(n1)CCCC2.Cl.Cl.
What is the InChIKey of 1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)ethanamine;dihydrochloride?
The InChIKey is HKJOONLKKBBAIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3.2ClH/c1-7(10)9-6-8-4-2-3-5-12(8)11-9;;/h6-7H,2-5,10H2,1H3;2*1H.
What are the key properties of 1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)ethanamine;dihydrochloride?
1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)ethanamine;dihydrochloride has a molecular weight of 238.16 g/mol, XLogP of 2.08, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)ethanamine;dihydrochloride is sourced from PubChem (CID 122149390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).