2-[5-[4-(6-benzyl-4,5-dimethylpyridazin-3-yl)piperazin-1-yl]pyrazin-2-yl]propan-2-ol

C24H30N6O — CID 44621034

IUPAC2-[5-[4-(6-benzyl-4,5-dimethylpyridazin-3-yl)piperazin-1-yl]pyrazin-2-yl]propan-2-ol
SMILESCc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(C)(C)O)cn3)CC2)c1C
InChIInChI=1S/C24H30N6O/c1-17-18(2)23(28-27-20(17)14-19-8-6-5-7-9-19)30-12-10-29(11-13-30)22-16-25-21(15-26-22)24(3,4)31/h5-9,15-16,31H,10-14H2,1-4H3
InChIKeyKUGYAAOIRJCBOT-UHFFFAOYSA-N
MW418.55 g/mol
LogP3.03
Rot. Bonds5

About 2-[5-[4-(6-benzyl-4,5-dimethylpyridazin-3-yl)piperazin-1-yl]pyrazin-2-yl]propan-2-ol

2-[5-[4-(6-benzyl-4,5-dimethylpyridazin-3-yl)piperazin-1-yl]pyrazin-2-yl]propan-2-ol (PubChem CID 44621034) has the molecular formula C24H30N6O and a molecular weight of 418.55 g/mol. Its IUPAC name is 2-[5-[4-(6-benzyl-4,5-dimethylpyridazin-3-yl)piperazin-1-yl]pyrazin-2-yl]propan-2-ol.

Molecular Properties

Compound Name2-[5-[4-(6-benzyl-4,5-dimethylpyridazin-3-yl)piperazin-1-yl]pyrazin-2-yl]propan-2-ol
PubChem CID44621034
Molecular FormulaC24H30N6O
Molecular Weight418.55 g/mol
Exact Mass418.25
IUPAC Name2-[5-[4-(6-benzyl-4,5-dimethylpyridazin-3-yl)piperazin-1-yl]pyrazin-2-yl]propan-2-ol
SMILESCc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(C)(C)O)cn3)CC2)c1C
InChIInChI=1S/C24H30N6O/c1-17-18(2)23(28-27-20(17)14-19-8-6-5-7-9-19)30-12-10-29(11-13-30)22-16-25-21(15-26-22)24(3,4)31/h5-9,15-16,31H,10-14H2,1-4H3
InChIKeyKUGYAAOIRJCBOT-UHFFFAOYSA-N
XLogP3.03
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.55
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[5-[4-(6-benzyl-4,5-dimethylpyridazin-3-yl)piperazin-1-yl]pyrazin-2-yl]propan-2-ol with MolForge

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Related Compounds

Nvp-leq-506
CID 45100669
Anta XV
CID 24905375
6-(4-Methylpiperazin-1-yl)-3-phenyl-4-pyridin-4-ylpyridazine
CID 59867414
2-(7-(4-Fluoro-3-(pyridin-3-yl)phenyl)imidazo[1,2-b][1,2,4]triazin-3-yl)propan-2-ol
CID 10154823
2-(7-(4-Fluoro-3-(pyridin-4-yl)phenyl)imidazo[1,2-b][1,2,4]triazin-3-yl)propan-2-ol
CID 10154824
2-(7-(3-(3,5-Difluoropyridin-2-yl)-4-fluorophenyl)imidazo[1,2-b][1,2,4]triazin-3-yl)propan-2-ol
CID 10271398
2-(7-(4-Fluoro-3-(5-fluoropyridin-2-yl)phenyl)imidazo[1,2-b][1,2,4]triazin-3-yl)propan-2-ol
CID 9969198
2-(7-(4-Fluoro-3-(3-fluoropyridin-2-yl)phenyl)imidazo[1,2-b][1,2,4]triazin-3-yl)propan-2-ol
CID 10133554
1-{6-[4-(4-Benzylphthalazin-1-yl)piperazin-1-yl]pyridin-3-yl}cyclopropanol
CID 44186376
N,N-dimethyl-6-phenyl-3-(2-pyridinyl)-1,2,4-triazin-5-amine
CID 6404645
2-[5-[4-(1-benzyl-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl)piperazin-1-yl]pyrazin-2-yl]propan-2-ol
CID 44621079
2-[5-[(2R)-4-[4,5-dimethyl-6-(pyridin-2-ylmethyl)pyridazin-3-yl]-2-methylpiperazin-1-yl]pyrazin-2-yl]propan-2-ol
CID 45100666

Frequently Asked Questions

What is the IUPAC name of 2-[5-[4-(6-benzyl-4,5-dimethylpyridazin-3-yl)piperazin-1-yl]pyrazin-2-yl]propan-2-ol?
The IUPAC name of 2-[5-[4-(6-benzyl-4,5-dimethylpyridazin-3-yl)piperazin-1-yl]pyrazin-2-yl]propan-2-ol (CID 44621034) is 2-[5-[4-(6-benzyl-4,5-dimethylpyridazin-3-yl)piperazin-1-yl]pyrazin-2-yl]propan-2-ol.
What is the SMILES notation for 2-[5-[4-(6-benzyl-4,5-dimethylpyridazin-3-yl)piperazin-1-yl]pyrazin-2-yl]propan-2-ol?
The canonical SMILES for 2-[5-[4-(6-benzyl-4,5-dimethylpyridazin-3-yl)piperazin-1-yl]pyrazin-2-yl]propan-2-ol is Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(C)(C)O)cn3)CC2)c1C.
What is the InChIKey of 2-[5-[4-(6-benzyl-4,5-dimethylpyridazin-3-yl)piperazin-1-yl]pyrazin-2-yl]propan-2-ol?
The InChIKey is KUGYAAOIRJCBOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O/c1-17-18(2)23(28-27-20(17)14-19-8-6-5-7-9-19)30-12-10-29(11-13-30)22-16-25-21(15-26-22)24(3,4)31/h5-9,15-16,31H,10-14H2,1-4H3.
What are the key properties of 2-[5-[4-(6-benzyl-4,5-dimethylpyridazin-3-yl)piperazin-1-yl]pyrazin-2-yl]propan-2-ol?
2-[5-[4-(6-benzyl-4,5-dimethylpyridazin-3-yl)piperazin-1-yl]pyrazin-2-yl]propan-2-ol has a molecular weight of 418.55 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[4-(6-benzyl-4,5-dimethylpyridazin-3-yl)piperazin-1-yl]pyrazin-2-yl]propan-2-ol is sourced from PubChem (CID 44621034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).