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

C16H24N4O2 — CID 95766384

IUPAC1-[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-3-[(2R)-oxolan-2-yl]propan-1-one
SMILESCCNc1cc2c(nn1)CCN(C(=O)CC[C@H]1CCCO1)C2
InChIInChI=1S/C16H24N4O2/c1-2-17-15-10-12-11-20(8-7-14(12)18-19-15)16(21)6-5-13-4-3-9-22-13/h10,13H,2-9,11H2,1H3,(H,17,19)/t13-/m1/s1
InChIKeyAHBGLQUNSROSHP-CYBMUJFWSA-N
MW304.39 g/mol
LogP1.75
Rot. Bonds5

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

1-[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-3-[(2R)-oxolan-2-yl]propan-1-one (PubChem CID 95766384) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 1-[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-3-[(2R)-oxolan-2-yl]propan-1-one.

Molecular Properties

Compound Name1-[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-3-[(2R)-oxolan-2-yl]propan-1-one
PubChem CID95766384
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name1-[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-3-[(2R)-oxolan-2-yl]propan-1-one
SMILESCCNc1cc2c(nn1)CCN(C(=O)CC[C@H]1CCCO1)C2
InChIInChI=1S/C16H24N4O2/c1-2-17-15-10-12-11-20(8-7-14(12)18-19-15)16(21)6-5-13-4-3-9-22-13/h10,13H,2-9,11H2,1H3,(H,17,19)/t13-/m1/s1
InChIKeyAHBGLQUNSROSHP-CYBMUJFWSA-N
XLogP1.75
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-bromo-3,4-dihydro-1H-isoquinolin-2-yl)-3-[(2S)-oxolan-2-yl]propan-1-one
CID 95160246
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
3-[(2S)-oxolan-2-yl]-1-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-1-one
CID 95978215
1-(3-methylpiperidin-1-yl)-3-(oxolan-2-yl)propan-1-one
CID 47026166
1-(8-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-3-(oxolan-2-yl)propan-1-one
CID 46970816
1-(3-hydroxy-4-methylpiperidin-1-yl)-3-(oxolan-2-yl)propan-1-one
CID 103900586
1-[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-3-[(2R)-oxolan-2-yl]propan-1-one
CID 95308710
1-[3-(methylaminomethyl)piperidin-1-yl]-3-(oxolan-2-yl)propan-1-one
CID 62048304
1-(4-bromopiperidin-1-yl)-3-(oxolan-2-yl)propan-1-one
CID 80661560
1-(3-hydrazinyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-2-(2-methylphenyl)ethanone
CID 12582691

Frequently Asked Questions

What is the IUPAC name of 1-[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-3-[(2R)-oxolan-2-yl]propan-1-one?
The IUPAC name of 1-[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-3-[(2R)-oxolan-2-yl]propan-1-one (CID 95766384) is 1-[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-3-[(2R)-oxolan-2-yl]propan-1-one.
What is the SMILES notation for 1-[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-3-[(2R)-oxolan-2-yl]propan-1-one?
The canonical SMILES for 1-[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-3-[(2R)-oxolan-2-yl]propan-1-one is CCNc1cc2c(nn1)CCN(C(=O)CC[C@H]1CCCO1)C2.
What is the InChIKey of 1-[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-3-[(2R)-oxolan-2-yl]propan-1-one?
The InChIKey is AHBGLQUNSROSHP-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-2-17-15-10-12-11-20(8-7-14(12)18-19-15)16(21)6-5-13-4-3-9-22-13/h10,13H,2-9,11H2,1H3,(H,17,19)/t13-/m1/s1.
What are the key properties of 1-[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-3-[(2R)-oxolan-2-yl]propan-1-one?
1-[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-3-[(2R)-oxolan-2-yl]propan-1-one has a molecular weight of 304.39 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-3-[(2R)-oxolan-2-yl]propan-1-one is sourced from PubChem (CID 95766384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).