[6-(1,3-dihydroisoindol-2-yl)pyridazin-3-yl]methanamine

C13H14N4 — CID 62298749

IUPAC[6-(1,3-dihydroisoindol-2-yl)pyridazin-3-yl]methanamine
SMILESNCc1ccc(N2Cc3ccccc3C2)nn1
InChIInChI=1S/C13H14N4/c14-7-12-5-6-13(16-15-12)17-8-10-3-1-2-4-11(10)9-17/h1-6H,7-9,14H2
InChIKeyLMYFMWUEULMLAM-UHFFFAOYSA-N
MW226.28 g/mol
LogP1.46
Rot. Bonds2

About [6-(1,3-dihydroisoindol-2-yl)pyridazin-3-yl]methanamine

[6-(1,3-dihydroisoindol-2-yl)pyridazin-3-yl]methanamine (PubChem CID 62298749) has the molecular formula C13H14N4 and a molecular weight of 226.28 g/mol. Its IUPAC name is [6-(1,3-dihydroisoindol-2-yl)pyridazin-3-yl]methanamine.

Molecular Properties

Compound Name[6-(1,3-dihydroisoindol-2-yl)pyridazin-3-yl]methanamine
PubChem CID62298749
Molecular FormulaC13H14N4
Molecular Weight226.28 g/mol
Exact Mass226.12
IUPAC Name[6-(1,3-dihydroisoindol-2-yl)pyridazin-3-yl]methanamine
SMILESNCc1ccc(N2Cc3ccccc3C2)nn1
InChIInChI=1S/C13H14N4/c14-7-12-5-6-13(16-15-12)17-8-10-3-1-2-4-11(10)9-17/h1-6H,7-9,14H2
InChIKeyLMYFMWUEULMLAM-UHFFFAOYSA-N
XLogP1.46
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[6-(1,3-dihydroisoindol-2-yl)pyridazin-3-yl]methanol
CID 55050048
N-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]methyl]propan-2-amine
CID 62285310
[6-(4-propylpiperazin-1-yl)pyridazin-3-yl]methanamine
CID 55054734
[6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridazin-3-yl]methanamine
CID 62968966
[6-(2-ethylmorpholin-4-yl)pyridazin-3-yl]methanamine
CID 62284627
[6-(4,4-dimethylazepan-1-yl)pyridazin-3-yl]methanamine
CID 65281689
[6-(2-azaspiro[4.5]decan-2-yl)pyridazin-3-yl]methanamine
CID 114279559
[6-(2-methylpyrrolidin-1-yl)pyridazin-3-yl]methanamine
CID 62299628
2-[6-(bromomethyl)-2-pyridinyl]-1,3-dihydroisoindole
CID 141404518
[6-(2,5-dihydropyrrol-1-yl)pyridazin-3-yl]methanol
CID 130735742
[6-[3-(methoxymethyl)pyrrolidin-1-yl]pyridazin-3-yl]methanamine
CID 64581391
[6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-3-pyridinyl]methanamine
CID 79884708

Frequently Asked Questions

What is the IUPAC name of [6-(1,3-dihydroisoindol-2-yl)pyridazin-3-yl]methanamine?
The IUPAC name of [6-(1,3-dihydroisoindol-2-yl)pyridazin-3-yl]methanamine (CID 62298749) is [6-(1,3-dihydroisoindol-2-yl)pyridazin-3-yl]methanamine.
What is the SMILES notation for [6-(1,3-dihydroisoindol-2-yl)pyridazin-3-yl]methanamine?
The canonical SMILES for [6-(1,3-dihydroisoindol-2-yl)pyridazin-3-yl]methanamine is NCc1ccc(N2Cc3ccccc3C2)nn1.
What is the InChIKey of [6-(1,3-dihydroisoindol-2-yl)pyridazin-3-yl]methanamine?
The InChIKey is LMYFMWUEULMLAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4/c14-7-12-5-6-13(16-15-12)17-8-10-3-1-2-4-11(10)9-17/h1-6H,7-9,14H2.
What are the key properties of [6-(1,3-dihydroisoindol-2-yl)pyridazin-3-yl]methanamine?
[6-(1,3-dihydroisoindol-2-yl)pyridazin-3-yl]methanamine has a molecular weight of 226.28 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(1,3-dihydroisoindol-2-yl)pyridazin-3-yl]methanamine is sourced from PubChem (CID 62298749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).