[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-[(1S,2R)-2-(furan-2-yl)cyclopropyl]methanone

C17H20N4O2 — CID 95978130

IUPAC[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-[(1S,2R)-2-(furan-2-yl)cyclopropyl]methanone
SMILESCCNc1cc2c(nn1)CCN(C(=O)[C@H]1C[C@H]1c1ccco1)C2
InChIInChI=1S/C17H20N4O2/c1-2-18-16-8-11-10-21(6-5-14(11)19-20-16)17(22)13-9-12(13)15-4-3-7-23-15/h3-4,7-8,12-13H,2,5-6,9-10H2,1H3,(H,18,20)/t12-,13+/m1/s1
InChIKeyGGEWSCAFIAPLSP-OLZOCXBDSA-N
MW312.37 g/mol
LogP2.19
Rot. Bonds4

About [3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-[(1S,2R)-2-(furan-2-yl)cyclopropyl]methanone

[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-[(1S,2R)-2-(furan-2-yl)cyclopropyl]methanone (PubChem CID 95978130) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is [3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-[(1S,2R)-2-(furan-2-yl)cyclopropyl]methanone.

Molecular Properties

Compound Name[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-[(1S,2R)-2-(furan-2-yl)cyclopropyl]methanone
PubChem CID95978130
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-[(1S,2R)-2-(furan-2-yl)cyclopropyl]methanone
SMILESCCNc1cc2c(nn1)CCN(C(=O)[C@H]1C[C@H]1c1ccco1)C2
InChIInChI=1S/C17H20N4O2/c1-2-18-16-8-11-10-21(6-5-14(11)19-20-16)17(22)13-9-12(13)15-4-3-7-23-15/h3-4,7-8,12-13H,2,5-6,9-10H2,1H3,(H,18,20)/t12-,13+/m1/s1
InChIKeyGGEWSCAFIAPLSP-OLZOCXBDSA-N
XLogP2.19
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-[(1S,2R)-2-(furan-2-yl)cyclopropyl]methanone?
The IUPAC name of [3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-[(1S,2R)-2-(furan-2-yl)cyclopropyl]methanone (CID 95978130) is [3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-[(1S,2R)-2-(furan-2-yl)cyclopropyl]methanone.
What is the SMILES notation for [3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-[(1S,2R)-2-(furan-2-yl)cyclopropyl]methanone?
The canonical SMILES for [3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-[(1S,2R)-2-(furan-2-yl)cyclopropyl]methanone is CCNc1cc2c(nn1)CCN(C(=O)[C@H]1C[C@H]1c1ccco1)C2.
What is the InChIKey of [3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-[(1S,2R)-2-(furan-2-yl)cyclopropyl]methanone?
The InChIKey is GGEWSCAFIAPLSP-OLZOCXBDSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-2-18-16-8-11-10-21(6-5-14(11)19-20-16)17(22)13-9-12(13)15-4-3-7-23-15/h3-4,7-8,12-13H,2,5-6,9-10H2,1H3,(H,18,20)/t12-,13+/m1/s1.
What are the key properties of [3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-[(1S,2R)-2-(furan-2-yl)cyclopropyl]methanone?
[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-[(1S,2R)-2-(furan-2-yl)cyclopropyl]methanone has a molecular weight of 312.37 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-[(1S,2R)-2-(furan-2-yl)cyclopropyl]methanone is sourced from PubChem (CID 95978130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).