4-piperazin-1-yl-1H-pyrazolo[5,4-d]pyrimidine;dihydrochloride

C9H14Cl2N6 — CID 67539839

IUPAC4-piperazin-1-yl-1H-pyrazolo[5,4-d]pyrimidine;dihydrochloride
SMILESCl.Cl.c1nc(N2CCNCC2)c2cn[nH]c2n1
InChIInChI=1S/C9H12N6.2ClH/c1-3-15(4-2-10-1)9-7-5-13-14-8(7)11-6-12-9;;/h5-6,10H,1-4H2,(H,11,12,13,14);2*1H
InChIKeyBGWCQWVNLUSNFF-UHFFFAOYSA-N
MW277.16 g/mol
LogP0.61
Rot. Bonds1

About 4-piperazin-1-yl-1H-pyrazolo[5,4-d]pyrimidine;dihydrochloride

4-piperazin-1-yl-1H-pyrazolo[5,4-d]pyrimidine;dihydrochloride (PubChem CID 67539839) has the molecular formula C9H14Cl2N6 and a molecular weight of 277.16 g/mol. Its IUPAC name is 4-piperazin-1-yl-1H-pyrazolo[5,4-d]pyrimidine;dihydrochloride.

Molecular Properties

Compound Name4-piperazin-1-yl-1H-pyrazolo[5,4-d]pyrimidine;dihydrochloride
PubChem CID67539839
Molecular FormulaC9H14Cl2N6
Molecular Weight277.16 g/mol
Exact Mass276.07
IUPAC Name4-piperazin-1-yl-1H-pyrazolo[5,4-d]pyrimidine;dihydrochloride
SMILESCl.Cl.c1nc(N2CCNCC2)c2cn[nH]c2n1
InChIInChI=1S/C9H12N6.2ClH/c1-3-15(4-2-10-1)9-7-5-13-14-8(7)11-6-12-9;;/h5-6,10H,1-4H2,(H,11,12,13,14);2*1H
InChIKeyBGWCQWVNLUSNFF-UHFFFAOYSA-N
XLogP0.61
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.16
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-piperazin-1-yl-1H-pyrazolo[5,4-d]pyrimidine;dihydrochloride?
The IUPAC name of 4-piperazin-1-yl-1H-pyrazolo[5,4-d]pyrimidine;dihydrochloride (CID 67539839) is 4-piperazin-1-yl-1H-pyrazolo[5,4-d]pyrimidine;dihydrochloride.
What is the SMILES notation for 4-piperazin-1-yl-1H-pyrazolo[5,4-d]pyrimidine;dihydrochloride?
The canonical SMILES for 4-piperazin-1-yl-1H-pyrazolo[5,4-d]pyrimidine;dihydrochloride is Cl.Cl.c1nc(N2CCNCC2)c2cn[nH]c2n1.
What is the InChIKey of 4-piperazin-1-yl-1H-pyrazolo[5,4-d]pyrimidine;dihydrochloride?
The InChIKey is BGWCQWVNLUSNFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6.2ClH/c1-3-15(4-2-10-1)9-7-5-13-14-8(7)11-6-12-9;;/h5-6,10H,1-4H2,(H,11,12,13,14);2*1H.
What are the key properties of 4-piperazin-1-yl-1H-pyrazolo[5,4-d]pyrimidine;dihydrochloride?
4-piperazin-1-yl-1H-pyrazolo[5,4-d]pyrimidine;dihydrochloride has a molecular weight of 277.16 g/mol, XLogP of 0.61, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperazin-1-yl-1H-pyrazolo[5,4-d]pyrimidine;dihydrochloride is sourced from PubChem (CID 67539839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).