6-amino-2-(3,4-dihydro-1H-isochromen-1-ylmethyl)pyridazin-3-one

C14H15N3O2 — CID 116788178

IUPAC6-amino-2-(3,4-dihydro-1H-isochromen-1-ylmethyl)pyridazin-3-one
SMILESNc1ccc(=O)n(CC2OCCc3ccccc32)n1
InChIInChI=1S/C14H15N3O2/c15-13-5-6-14(18)17(16-13)9-12-11-4-2-1-3-10(11)7-8-19-12/h1-6,12H,7-9H2,(H2,15,16)
InChIKeySCHGXEDPRIECNQ-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.14
Rot. Bonds2

About 6-amino-2-(3,4-dihydro-1H-isochromen-1-ylmethyl)pyridazin-3-one

6-amino-2-(3,4-dihydro-1H-isochromen-1-ylmethyl)pyridazin-3-one (PubChem CID 116788178) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 6-amino-2-(3,4-dihydro-1H-isochromen-1-ylmethyl)pyridazin-3-one.

Molecular Properties

Compound Name6-amino-2-(3,4-dihydro-1H-isochromen-1-ylmethyl)pyridazin-3-one
PubChem CID116788178
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name6-amino-2-(3,4-dihydro-1H-isochromen-1-ylmethyl)pyridazin-3-one
SMILESNc1ccc(=O)n(CC2OCCc3ccccc32)n1
InChIInChI=1S/C14H15N3O2/c15-13-5-6-14(18)17(16-13)9-12-11-4-2-1-3-10(11)7-8-19-12/h1-6,12H,7-9H2,(H2,15,16)
InChIKeySCHGXEDPRIECNQ-UHFFFAOYSA-N
XLogP1.14
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-amino-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyridazin-3-one
CID 116788347
2-(3,4-dihydro-1H-isochromen-1-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 115629334
1-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3,5-diethylpyrazole
CID 82699233
1-(3,4-dihydro-1H-isochromen-1-ylmethyl)imidazole-4-sulfonamide
CID 81340073
3-(3,4-dihydro-1H-isochromen-1-ylmethyl)-5-iodo-6-methylpyrimidin-4-one
CID 66342896
6-chloro-3-(3,4-dihydro-1H-isochromen-1-ylmethyl)-5-iodopyrimidin-4-one
CID 114584146
1-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-iodopyridin-2-one
CID 79784619
[(1R)-3,4-dihydro-1H-isochromen-1-yl]methanethiol
CID 129369937
1-(iodomethyl)-3,4-dihydro-1H-isochromene
CID 64788937
(3S)-1-(3,4-dihydro-1H-isochromen-1-ylmethyl)pyrrolidin-3-amine
CID 115302560
1-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-(trifluoromethyl)pyrazole
CID 115629530
1-(3,4-dihydro-1H-isochromen-1-ylmethyl)-5-oxopyrrolidine-3-carboxylic acid
CID 83193190

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-(3,4-dihydro-1H-isochromen-1-ylmethyl)pyridazin-3-one?
The IUPAC name of 6-amino-2-(3,4-dihydro-1H-isochromen-1-ylmethyl)pyridazin-3-one (CID 116788178) is 6-amino-2-(3,4-dihydro-1H-isochromen-1-ylmethyl)pyridazin-3-one.
What is the SMILES notation for 6-amino-2-(3,4-dihydro-1H-isochromen-1-ylmethyl)pyridazin-3-one?
The canonical SMILES for 6-amino-2-(3,4-dihydro-1H-isochromen-1-ylmethyl)pyridazin-3-one is Nc1ccc(=O)n(CC2OCCc3ccccc32)n1.
What is the InChIKey of 6-amino-2-(3,4-dihydro-1H-isochromen-1-ylmethyl)pyridazin-3-one?
The InChIKey is SCHGXEDPRIECNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c15-13-5-6-14(18)17(16-13)9-12-11-4-2-1-3-10(11)7-8-19-12/h1-6,12H,7-9H2,(H2,15,16).
What are the key properties of 6-amino-2-(3,4-dihydro-1H-isochromen-1-ylmethyl)pyridazin-3-one?
6-amino-2-(3,4-dihydro-1H-isochromen-1-ylmethyl)pyridazin-3-one has a molecular weight of 257.29 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-(3,4-dihydro-1H-isochromen-1-ylmethyl)pyridazin-3-one is sourced from PubChem (CID 116788178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).