4-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)piperazin-1-yl]-1H-pyridazin-6-one;dihydrochloride

C15H23Cl2N7O — CID 154893061

IUPAC4-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)piperazin-1-yl]-1H-pyridazin-6-one;dihydrochloride
SMILESCl.Cl.O=c1cc(N2CCN(Cc3cc4n(n3)CCNC4)CC2)cn[nH]1
InChIInChI=1S/C15H21N7O.2ClH/c23-15-8-13(10-17-18-15)21-5-3-20(4-6-21)11-12-7-14-9-16-1-2-22(14)19-12;;/h7-8,10,16H,1-6,9,11H2,(H,18,23);2*1H
InChIKeyGDAGPEKRTKMGEZ-UHFFFAOYSA-N
MW388.30 g/mol
LogP0.24
Rot. Bonds3

About 4-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)piperazin-1-yl]-1H-pyridazin-6-one;dihydrochloride

4-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)piperazin-1-yl]-1H-pyridazin-6-one;dihydrochloride (PubChem CID 154893061) has the molecular formula C15H23Cl2N7O and a molecular weight of 388.30 g/mol. Its IUPAC name is 4-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)piperazin-1-yl]-1H-pyridazin-6-one;dihydrochloride.

Molecular Properties

Compound Name4-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)piperazin-1-yl]-1H-pyridazin-6-one;dihydrochloride
PubChem CID154893061
Molecular FormulaC15H23Cl2N7O
Molecular Weight388.30 g/mol
Exact Mass387.13
IUPAC Name4-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)piperazin-1-yl]-1H-pyridazin-6-one;dihydrochloride
SMILESCl.Cl.O=c1cc(N2CCN(Cc3cc4n(n3)CCNC4)CC2)cn[nH]1
InChIInChI=1S/C15H21N7O.2ClH/c23-15-8-13(10-17-18-15)21-5-3-20(4-6-21)11-12-7-14-9-16-1-2-22(14)19-12;;/h7-8,10,16H,1-6,9,11H2,(H,18,23);2*1H
InChIKeyGDAGPEKRTKMGEZ-UHFFFAOYSA-N
XLogP0.24
TPSA82.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.30
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;dihydrochloride
CID 154893661
2-[[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
CID 56888635
N-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)piperidin-4-yl]methanesulfonamide
CID 56908090
2-ethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
CID 83694497
(1S,5R)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-3,9-diazabicyclo[3.3.2]decan-10-one
CID 71692401
3-[[5-fluoro-6-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]amino]piperidine-2,6-dione
CID 177300960
2-[[4-(1H-benzimidazol-2-yl)piperazin-1-yl]methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine;dihydrochloride
CID 154893566
N-ethyl-N-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)pyrrolidin-3-yl]acetamide;dihydrochloride
CID 154924831
1-(3,5-dimethylphenyl)-4-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)piperazin-2-one
CID 56910304
11-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one;dihydrochloride
CID 171153274
3-[1-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)piperidin-4-yl]-1,3-oxazolidin-2-one;dihydrochloride
CID 154893702
2-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)piperidin-4-yl]-3,4-dihydro-1H-isoquinoline;dihydrochloride
CID 154892862

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)piperazin-1-yl]-1H-pyridazin-6-one;dihydrochloride?
The IUPAC name of 4-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)piperazin-1-yl]-1H-pyridazin-6-one;dihydrochloride (CID 154893061) is 4-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)piperazin-1-yl]-1H-pyridazin-6-one;dihydrochloride.
What is the SMILES notation for 4-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)piperazin-1-yl]-1H-pyridazin-6-one;dihydrochloride?
The canonical SMILES for 4-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)piperazin-1-yl]-1H-pyridazin-6-one;dihydrochloride is Cl.Cl.O=c1cc(N2CCN(Cc3cc4n(n3)CCNC4)CC2)cn[nH]1.
What is the InChIKey of 4-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)piperazin-1-yl]-1H-pyridazin-6-one;dihydrochloride?
The InChIKey is GDAGPEKRTKMGEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N7O.2ClH/c23-15-8-13(10-17-18-15)21-5-3-20(4-6-21)11-12-7-14-9-16-1-2-22(14)19-12;;/h7-8,10,16H,1-6,9,11H2,(H,18,23);2*1H.
What are the key properties of 4-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)piperazin-1-yl]-1H-pyridazin-6-one;dihydrochloride?
4-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)piperazin-1-yl]-1H-pyridazin-6-one;dihydrochloride has a molecular weight of 388.30 g/mol, XLogP of 0.24, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)piperazin-1-yl]-1H-pyridazin-6-one;dihydrochloride is sourced from PubChem (CID 154893061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).