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

C19H22N4O2 — CID 56778343

IUPAC[4-(cyclopropylmethoxy)phenyl]-[3-(methylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]methanone
SMILESCNc1cc2c(nn1)CCN(C(=O)c1ccc(OCC3CC3)cc1)C2
InChIInChI=1S/C19H22N4O2/c1-20-18-10-15-11-23(9-8-17(15)21-22-18)19(24)14-4-6-16(7-5-14)25-12-13-2-3-13/h4-7,10,13H,2-3,8-9,11-12H2,1H3,(H,20,22)
InChIKeyHOTKHPQKRZVJCF-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.51
Rot. Bonds5

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

[4-(cyclopropylmethoxy)phenyl]-[3-(methylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]methanone (PubChem CID 56778343) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is [4-(cyclopropylmethoxy)phenyl]-[3-(methylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]methanone.

Molecular Properties

Compound Name[4-(cyclopropylmethoxy)phenyl]-[3-(methylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]methanone
PubChem CID56778343
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name[4-(cyclopropylmethoxy)phenyl]-[3-(methylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]methanone
SMILESCNc1cc2c(nn1)CCN(C(=O)c1ccc(OCC3CC3)cc1)C2
InChIInChI=1S/C19H22N4O2/c1-20-18-10-15-11-23(9-8-17(15)21-22-18)19(24)14-4-6-16(7-5-14)25-12-13-2-3-13/h4-7,10,13H,2-3,8-9,11-12H2,1H3,(H,20,22)
InChIKeyHOTKHPQKRZVJCF-UHFFFAOYSA-N
XLogP2.51
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-(cyclopropylmethoxy)phenyl]-[3-(methylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]methanone with MolForge

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Related Compounds

(3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-[6-(cyclopropylmethoxy)-3-pyridinyl]methanone
CID 56778296
[3-(methylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-(2-methylpyrimidin-4-yl)methanone
CID 167917238
[4-(cyclopropylmethoxy)phenyl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 119645875
[3-(methylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-[(1R,2R)-2-(5-methylthiophen-2-yl)cyclopropyl]methanone
CID 95600373
2-[4-(2-methyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carbonyl)phenoxy]acetic acid
CID 146135786
[3-[(2Z)-2-butylidenehydrazinyl]-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-(4-phenylphenyl)methanone
CID 88720244
N-hydroxy-6-(4-methoxybenzoyl)-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide
CID 56847164
(3S,4S)-1-[4-(cyclopropylmethoxy)benzoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 120952218
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[4-(oxolan-2-ylmethoxy)phenyl]methanone
CID 3471344
[4-[(4-chlorophenoxy)methyl]piperidin-1-yl]-[2-(methylamino)pyrimidin-5-yl]methanone
CID 46978998
(4-aminopiperidin-1-yl)-[4-(cyclohexylmethoxy)phenyl]methanone
CID 119376325
1-[4-(cyclopropylmethoxy)benzoyl]piperidine-3-carboxylic acid
CID 119167329

Frequently Asked Questions

What is the IUPAC name of [4-(cyclopropylmethoxy)phenyl]-[3-(methylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]methanone?
The IUPAC name of [4-(cyclopropylmethoxy)phenyl]-[3-(methylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]methanone (CID 56778343) is [4-(cyclopropylmethoxy)phenyl]-[3-(methylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]methanone.
What is the SMILES notation for [4-(cyclopropylmethoxy)phenyl]-[3-(methylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]methanone?
The canonical SMILES for [4-(cyclopropylmethoxy)phenyl]-[3-(methylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]methanone is CNc1cc2c(nn1)CCN(C(=O)c1ccc(OCC3CC3)cc1)C2.
What is the InChIKey of [4-(cyclopropylmethoxy)phenyl]-[3-(methylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]methanone?
The InChIKey is HOTKHPQKRZVJCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-20-18-10-15-11-23(9-8-17(15)21-22-18)19(24)14-4-6-16(7-5-14)25-12-13-2-3-13/h4-7,10,13H,2-3,8-9,11-12H2,1H3,(H,20,22).
What are the key properties of [4-(cyclopropylmethoxy)phenyl]-[3-(methylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]methanone?
[4-(cyclopropylmethoxy)phenyl]-[3-(methylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]methanone has a molecular weight of 338.41 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(cyclopropylmethoxy)phenyl]-[3-(methylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]methanone is sourced from PubChem (CID 56778343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).