2-cyclopentyl-1-[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]ethanone

C16H24N4O — CID 56778398

IUPAC2-cyclopentyl-1-[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]ethanone
SMILESCCNc1cc2c(nn1)CCN(C(=O)CC1CCCC1)C2
InChIInChI=1S/C16H24N4O/c1-2-17-15-10-13-11-20(8-7-14(13)18-19-15)16(21)9-12-5-3-4-6-12/h10,12H,2-9,11H2,1H3,(H,17,19)
InChIKeyTXTUSCUHRIDVCZ-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.37
Rot. Bonds4

About 2-cyclopentyl-1-[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]ethanone

2-cyclopentyl-1-[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]ethanone (PubChem CID 56778398) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-cyclopentyl-1-[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]ethanone.

Molecular Properties

Compound Name2-cyclopentyl-1-[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]ethanone
PubChem CID56778398
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name2-cyclopentyl-1-[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]ethanone
SMILESCCNc1cc2c(nn1)CCN(C(=O)CC1CCCC1)C2
InChIInChI=1S/C16H24N4O/c1-2-17-15-10-13-11-20(8-7-14(13)18-19-15)16(21)9-12-5-3-4-6-12/h10,12H,2-9,11H2,1H3,(H,17,19)
InChIKeyTXTUSCUHRIDVCZ-UHFFFAOYSA-N
XLogP2.37
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]ethanone?
The IUPAC name of 2-cyclopentyl-1-[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]ethanone (CID 56778398) is 2-cyclopentyl-1-[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]ethanone.
What is the SMILES notation for 2-cyclopentyl-1-[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]ethanone?
The canonical SMILES for 2-cyclopentyl-1-[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]ethanone is CCNc1cc2c(nn1)CCN(C(=O)CC1CCCC1)C2.
What is the InChIKey of 2-cyclopentyl-1-[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]ethanone?
The InChIKey is TXTUSCUHRIDVCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-2-17-15-10-13-11-20(8-7-14(13)18-19-15)16(21)9-12-5-3-4-6-12/h10,12H,2-9,11H2,1H3,(H,17,19).
What are the key properties of 2-cyclopentyl-1-[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]ethanone?
2-cyclopentyl-1-[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]ethanone has a molecular weight of 288.39 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]ethanone is sourced from PubChem (CID 56778398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).