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

C19H22N4O — CID 56778232

IUPAC1-(3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
SMILESNc1cc2c(nn1)CCN(C(=O)Cc1ccc3c(c1)CCCC3)C2
InChIInChI=1S/C19H22N4O/c20-18-11-16-12-23(8-7-17(16)21-22-18)19(24)10-13-5-6-14-3-1-2-4-15(14)9-13/h5-6,9,11H,1-4,7-8,10,12H2,(H2,20,22)
InChIKeyMTNLXHKVDBLYHG-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.07
Rot. Bonds2

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

1-(3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone (PubChem CID 56778232) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 1-(3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone.

Molecular Properties

Compound Name1-(3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
PubChem CID56778232
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name1-(3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
SMILESNc1cc2c(nn1)CCN(C(=O)Cc1ccc3c(c1)CCCC3)C2
InChIInChI=1S/C19H22N4O/c20-18-11-16-12-23(8-7-17(16)21-22-18)19(24)10-13-5-6-14-3-1-2-4-15(14)9-13/h5-6,9,11H,1-4,7-8,10,12H2,(H2,20,22)
InChIKeyMTNLXHKVDBLYHG-UHFFFAOYSA-N
XLogP2.07
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone?
The IUPAC name of 1-(3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone (CID 56778232) is 1-(3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone.
What is the SMILES notation for 1-(3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone?
The canonical SMILES for 1-(3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone is Nc1cc2c(nn1)CCN(C(=O)Cc1ccc3c(c1)CCCC3)C2.
What is the InChIKey of 1-(3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone?
The InChIKey is MTNLXHKVDBLYHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c20-18-11-16-12-23(8-7-17(16)21-22-18)19(24)10-13-5-6-14-3-1-2-4-15(14)9-13/h5-6,9,11H,1-4,7-8,10,12H2,(H2,20,22).
What are the key properties of 1-(3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone?
1-(3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone has a molecular weight of 322.41 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone is sourced from PubChem (CID 56778232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).