2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)ethanamine;dihydrochloride

C8H16Cl2N4 — CID 135732759

IUPAC2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)ethanamine;dihydrochloride
SMILESCl.Cl.NCCc1cnn2c1NCCC2
InChIInChI=1S/C8H14N4.2ClH/c9-3-2-7-6-11-12-5-1-4-10-8(7)12;;/h6,10H,1-5,9H2;2*1H
InChIKeyRVEIFXHIDNQKFJ-UHFFFAOYSA-N
MW239.15 g/mol
LogP1.04
Rot. Bonds2

About 2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)ethanamine;dihydrochloride

2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)ethanamine;dihydrochloride (PubChem CID 135732759) has the molecular formula C8H16Cl2N4 and a molecular weight of 239.15 g/mol. Its IUPAC name is 2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)ethanamine;dihydrochloride.

Molecular Properties

Compound Name2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)ethanamine;dihydrochloride
PubChem CID135732759
Molecular FormulaC8H16Cl2N4
Molecular Weight239.15 g/mol
Exact Mass238.08
IUPAC Name2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)ethanamine;dihydrochloride
SMILESCl.Cl.NCCc1cnn2c1NCCC2
InChIInChI=1S/C8H14N4.2ClH/c9-3-2-7-6-11-12-5-1-4-10-8(7)12;;/h6,10H,1-5,9H2;2*1H
InChIKeyRVEIFXHIDNQKFJ-UHFFFAOYSA-N
XLogP1.04
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.15
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)ethanamine;dihydrochloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)ethanamine;dihydrochloride?
The IUPAC name of 2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)ethanamine;dihydrochloride (CID 135732759) is 2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)ethanamine;dihydrochloride.
What is the SMILES notation for 2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)ethanamine;dihydrochloride?
The canonical SMILES for 2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)ethanamine;dihydrochloride is Cl.Cl.NCCc1cnn2c1NCCC2.
What is the InChIKey of 2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)ethanamine;dihydrochloride?
The InChIKey is RVEIFXHIDNQKFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4.2ClH/c9-3-2-7-6-11-12-5-1-4-10-8(7)12;;/h6,10H,1-5,9H2;2*1H.
What are the key properties of 2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)ethanamine;dihydrochloride?
2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)ethanamine;dihydrochloride has a molecular weight of 239.15 g/mol, XLogP of 1.04, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)ethanamine;dihydrochloride is sourced from PubChem (CID 135732759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).