3-cyclopropyl-4-piperazin-1-yl-2H-pyrazolo[3,4-d]pyrimidine;dihydrochloride

C12H18Cl2N6 — CID 67539522

IUPAC3-cyclopropyl-4-piperazin-1-yl-2H-pyrazolo[3,4-d]pyrimidine;dihydrochloride
SMILESCl.Cl.c1nc(N2CCNCC2)c2c(C3CC3)[nH]nc2n1
InChIInChI=1S/C12H16N6.2ClH/c1-2-8(1)10-9-11(17-16-10)14-7-15-12(9)18-5-3-13-4-6-18;;/h7-8,13H,1-6H2,(H,14,15,16,17);2*1H
InChIKeyBSUCOXKDOBOYTD-UHFFFAOYSA-N
MW317.22 g/mol
LogP1.48
Rot. Bonds2

About 3-cyclopropyl-4-piperazin-1-yl-2H-pyrazolo[3,4-d]pyrimidine;dihydrochloride

3-cyclopropyl-4-piperazin-1-yl-2H-pyrazolo[3,4-d]pyrimidine;dihydrochloride (PubChem CID 67539522) has the molecular formula C12H18Cl2N6 and a molecular weight of 317.22 g/mol. Its IUPAC name is 3-cyclopropyl-4-piperazin-1-yl-2H-pyrazolo[3,4-d]pyrimidine;dihydrochloride.

Molecular Properties

Compound Name3-cyclopropyl-4-piperazin-1-yl-2H-pyrazolo[3,4-d]pyrimidine;dihydrochloride
PubChem CID67539522
Molecular FormulaC12H18Cl2N6
Molecular Weight317.22 g/mol
Exact Mass316.10
IUPAC Name3-cyclopropyl-4-piperazin-1-yl-2H-pyrazolo[3,4-d]pyrimidine;dihydrochloride
SMILESCl.Cl.c1nc(N2CCNCC2)c2c(C3CC3)[nH]nc2n1
InChIInChI=1S/C12H16N6.2ClH/c1-2-8(1)10-9-11(17-16-10)14-7-15-12(9)18-5-3-13-4-6-18;;/h7-8,13H,1-6H2,(H,14,15,16,17);2*1H
InChIKeyBSUCOXKDOBOYTD-UHFFFAOYSA-N
XLogP1.48
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.22
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-4-piperazin-1-yl-2H-pyrazolo[3,4-d]pyrimidine;dihydrochloride?
The IUPAC name of 3-cyclopropyl-4-piperazin-1-yl-2H-pyrazolo[3,4-d]pyrimidine;dihydrochloride (CID 67539522) is 3-cyclopropyl-4-piperazin-1-yl-2H-pyrazolo[3,4-d]pyrimidine;dihydrochloride.
What is the SMILES notation for 3-cyclopropyl-4-piperazin-1-yl-2H-pyrazolo[3,4-d]pyrimidine;dihydrochloride?
The canonical SMILES for 3-cyclopropyl-4-piperazin-1-yl-2H-pyrazolo[3,4-d]pyrimidine;dihydrochloride is Cl.Cl.c1nc(N2CCNCC2)c2c(C3CC3)[nH]nc2n1.
What is the InChIKey of 3-cyclopropyl-4-piperazin-1-yl-2H-pyrazolo[3,4-d]pyrimidine;dihydrochloride?
The InChIKey is BSUCOXKDOBOYTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6.2ClH/c1-2-8(1)10-9-11(17-16-10)14-7-15-12(9)18-5-3-13-4-6-18;;/h7-8,13H,1-6H2,(H,14,15,16,17);2*1H.
What are the key properties of 3-cyclopropyl-4-piperazin-1-yl-2H-pyrazolo[3,4-d]pyrimidine;dihydrochloride?
3-cyclopropyl-4-piperazin-1-yl-2H-pyrazolo[3,4-d]pyrimidine;dihydrochloride has a molecular weight of 317.22 g/mol, XLogP of 1.48, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-4-piperazin-1-yl-2H-pyrazolo[3,4-d]pyrimidine;dihydrochloride is sourced from PubChem (CID 67539522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).