(2R)-1-[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-2-methyl-3-pyrazol-1-ylpropan-1-one

C16H22N6O — CID 95600406

IUPAC(2R)-1-[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-2-methyl-3-pyrazol-1-ylpropan-1-one
SMILESCCNc1cc2c(nn1)CCN(C(=O)[C@H](C)Cn1cccn1)C2
InChIInChI=1S/C16H22N6O/c1-3-17-15-9-13-11-21(8-5-14(13)19-20-15)16(23)12(2)10-22-7-4-6-18-22/h4,6-7,9,12H,3,5,8,10-11H2,1-2H3,(H,17,20)/t12-/m1/s1
InChIKeyMRKCIVUENICWOK-GFCCVEGCSA-N
MW314.39 g/mol
LogP1.33
Rot. Bonds5

About (2R)-1-[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-2-methyl-3-pyrazol-1-ylpropan-1-one

(2R)-1-[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-2-methyl-3-pyrazol-1-ylpropan-1-one (PubChem CID 95600406) has the molecular formula C16H22N6O and a molecular weight of 314.39 g/mol. Its IUPAC name is (2R)-1-[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-2-methyl-3-pyrazol-1-ylpropan-1-one.

Molecular Properties

Compound Name(2R)-1-[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-2-methyl-3-pyrazol-1-ylpropan-1-one
PubChem CID95600406
Molecular FormulaC16H22N6O
Molecular Weight314.39 g/mol
Exact Mass314.19
IUPAC Name(2R)-1-[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-2-methyl-3-pyrazol-1-ylpropan-1-one
SMILESCCNc1cc2c(nn1)CCN(C(=O)[C@H](C)Cn1cccn1)C2
InChIInChI=1S/C16H22N6O/c1-3-17-15-9-13-11-21(8-5-14(13)19-20-15)16(23)12(2)10-22-7-4-6-18-22/h4,6-7,9,12H,3,5,8,10-11H2,1-2H3,(H,17,20)/t12-/m1/s1
InChIKeyMRKCIVUENICWOK-GFCCVEGCSA-N
XLogP1.33
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R)-1-[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-2-methyl-3-pyrazol-1-ylpropan-1-one with MolForge

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Related Compounds

1-[1-(2-hydroxyethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-2-methyl-3-pyrazol-1-ylpropan-1-one
CID 56755455
1-[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-2-(1H-indol-3-yl)ethanone
CID 56778396
5-[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carbonyl]-3,4-dimethyl-1H-pyridazin-6-one
CID 56778421
[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-[(1R,2S)-2-(2-fluorophenyl)cyclopropyl]methanone
CID 95347267
1-[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-3-[(2R)-oxolan-2-yl]propan-1-one
CID 95766384
[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-[(1R,2R)-2-(4-fluorophenyl)cyclopropyl]methanone
CID 95350512
1-[4-(2-hydroxypropyl)piperazin-1-yl]-2-methyl-3-pyrazol-1-ylpropan-1-one
CID 56802492
1-(4-ethylsulfonylpiperazin-1-yl)-2-methyl-3-pyrazol-1-ylpropan-1-one
CID 131936506
(2S)-1-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]-2-methyl-3-pyrazol-1-ylpropan-1-one
CID 95325587
1-(9-hydroxy-7-pyridin-3-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2-methyl-3-pyrazol-1-ylpropan-1-one
CID 56720006
1-(3-hydrazinyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-2-(2-methylphenyl)ethanone
CID 12582691
(2S)-1-[4-[(2S)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-2-methyl-3-pyrazol-1-ylpropan-1-one
CID 95601884

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-2-methyl-3-pyrazol-1-ylpropan-1-one?
The IUPAC name of (2R)-1-[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-2-methyl-3-pyrazol-1-ylpropan-1-one (CID 95600406) is (2R)-1-[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-2-methyl-3-pyrazol-1-ylpropan-1-one.
What is the SMILES notation for (2R)-1-[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-2-methyl-3-pyrazol-1-ylpropan-1-one?
The canonical SMILES for (2R)-1-[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-2-methyl-3-pyrazol-1-ylpropan-1-one is CCNc1cc2c(nn1)CCN(C(=O)[C@H](C)Cn1cccn1)C2.
What is the InChIKey of (2R)-1-[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-2-methyl-3-pyrazol-1-ylpropan-1-one?
The InChIKey is MRKCIVUENICWOK-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H22N6O/c1-3-17-15-9-13-11-21(8-5-14(13)19-20-15)16(23)12(2)10-22-7-4-6-18-22/h4,6-7,9,12H,3,5,8,10-11H2,1-2H3,(H,17,20)/t12-/m1/s1.
What are the key properties of (2R)-1-[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-2-methyl-3-pyrazol-1-ylpropan-1-one?
(2R)-1-[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-2-methyl-3-pyrazol-1-ylpropan-1-one has a molecular weight of 314.39 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-2-methyl-3-pyrazol-1-ylpropan-1-one is sourced from PubChem (CID 95600406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).