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

C19H22N4O — CID 56778325

IUPAC[3-(methylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
SMILESCNc1cc2c(nn1)CCN(C(=O)C1CCCc3ccccc31)C2
InChIInChI=1S/C19H22N4O/c1-20-18-11-14-12-23(10-9-17(14)21-22-18)19(24)16-8-4-6-13-5-2-3-7-15(13)16/h2-3,5,7,11,16H,4,6,8-10,12H2,1H3,(H,20,22)
InChIKeyRGNGSXAOPZHEEG-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.52
Rot. Bonds2

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

[3-(methylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone (PubChem CID 56778325) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is [3-(methylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone.

Molecular Properties

Compound Name[3-(methylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
PubChem CID56778325
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name[3-(methylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
SMILESCNc1cc2c(nn1)CCN(C(=O)C1CCCc3ccccc31)C2
InChIInChI=1S/C19H22N4O/c1-20-18-11-14-12-23(10-9-17(14)21-22-18)19(24)16-8-4-6-13-5-2-3-7-15(13)16/h2-3,5,7,11,16H,4,6,8-10,12H2,1H3,(H,20,22)
InChIKeyRGNGSXAOPZHEEG-UHFFFAOYSA-N
XLogP2.52
TPSA58.12 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 ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(methylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone?
The IUPAC name of [3-(methylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone (CID 56778325) is [3-(methylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone.
What is the SMILES notation for [3-(methylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone?
The canonical SMILES for [3-(methylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone is CNc1cc2c(nn1)CCN(C(=O)C1CCCc3ccccc31)C2.
What is the InChIKey of [3-(methylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone?
The InChIKey is RGNGSXAOPZHEEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-20-18-11-14-12-23(10-9-17(14)21-22-18)19(24)16-8-4-6-13-5-2-3-7-15(13)16/h2-3,5,7,11,16H,4,6,8-10,12H2,1H3,(H,20,22).
What are the key properties of [3-(methylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone?
[3-(methylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone has a molecular weight of 322.41 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone is sourced from PubChem (CID 56778325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).