[3,4-dihydro-1H-isochromen-1-yl-(6-methyl-3-pyridinyl)methyl]hydrazine

C16H19N3O — CID 105305603

IUPAC[3,4-dihydro-1H-isochromen-1-yl-(6-methyl-3-pyridinyl)methyl]hydrazine
SMILESCc1ccc(C(NN)C2OCCc3ccccc32)cn1
InChIInChI=1S/C16H19N3O/c1-11-6-7-13(10-18-11)15(19-17)16-14-5-3-2-4-12(14)8-9-20-16/h2-7,10,15-16,19H,8-9,17H2,1H3
InChIKeyLKCXLCHZEPAJDO-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.21
Rot. Bonds3

About [3,4-dihydro-1H-isochromen-1-yl-(6-methyl-3-pyridinyl)methyl]hydrazine

[3,4-dihydro-1H-isochromen-1-yl-(6-methyl-3-pyridinyl)methyl]hydrazine (PubChem CID 105305603) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is [3,4-dihydro-1H-isochromen-1-yl-(6-methyl-3-pyridinyl)methyl]hydrazine.

Molecular Properties

Compound Name[3,4-dihydro-1H-isochromen-1-yl-(6-methyl-3-pyridinyl)methyl]hydrazine
PubChem CID105305603
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name[3,4-dihydro-1H-isochromen-1-yl-(6-methyl-3-pyridinyl)methyl]hydrazine
SMILESCc1ccc(C(NN)C2OCCc3ccccc32)cn1
InChIInChI=1S/C16H19N3O/c1-11-6-7-13(10-18-11)15(19-17)16-14-5-3-2-4-12(14)8-9-20-16/h2-7,10,15-16,19H,8-9,17H2,1H3
InChIKeyLKCXLCHZEPAJDO-UHFFFAOYSA-N
XLogP2.21
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(6-methyl-3-pyridinyl)methyl]hydrazine
CID 105305505
[3,4-dihydro-1H-isochromen-1-yl-(1-methylimidazol-2-yl)methyl]hydrazine
CID 105308335
[(3,5-difluorophenyl)-(3,4-dihydro-1H-isochromen-1-yl)methyl]hydrazine
CID 105301905
[3,4-dihydro-1H-isochromen-1-yl-(2,5-dimethylphenyl)methyl]hydrazine
CID 105292632
1-(3,4-dihydro-1H-isochromen-1-yl)-N-methyl-1-phenylmethanamine
CID 105083589
N-[3,4-dihydro-1H-isochromen-1-yl(pyrimidin-5-yl)methyl]ethanamine
CID 105118645
[1-(3,4-dihydro-1H-isochromen-1-yl)-4-methylpentyl]hydrazine
CID 105294298
[(6-methyl-3-pyridinyl)-(oxan-2-yl)methyl]hydrazine
CID 105305482
[(3-methyloxolan-2-yl)-(6-methyl-3-pyridinyl)methyl]hydrazine
CID 105305599
1-(3,4-dihydro-1H-isochromen-1-yl)pentylhydrazine
CID 105293861
1-(3,4-dihydro-1H-isochromen-1-yl)-N-methyl-1-(2-methylphenyl)methanamine
CID 105094435
N-[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(6-methyl-3-pyridinyl)methyl]ethanamine
CID 64984458

Frequently Asked Questions

What is the IUPAC name of [3,4-dihydro-1H-isochromen-1-yl-(6-methyl-3-pyridinyl)methyl]hydrazine?
The IUPAC name of [3,4-dihydro-1H-isochromen-1-yl-(6-methyl-3-pyridinyl)methyl]hydrazine (CID 105305603) is [3,4-dihydro-1H-isochromen-1-yl-(6-methyl-3-pyridinyl)methyl]hydrazine.
What is the SMILES notation for [3,4-dihydro-1H-isochromen-1-yl-(6-methyl-3-pyridinyl)methyl]hydrazine?
The canonical SMILES for [3,4-dihydro-1H-isochromen-1-yl-(6-methyl-3-pyridinyl)methyl]hydrazine is Cc1ccc(C(NN)C2OCCc3ccccc32)cn1.
What is the InChIKey of [3,4-dihydro-1H-isochromen-1-yl-(6-methyl-3-pyridinyl)methyl]hydrazine?
The InChIKey is LKCXLCHZEPAJDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-11-6-7-13(10-18-11)15(19-17)16-14-5-3-2-4-12(14)8-9-20-16/h2-7,10,15-16,19H,8-9,17H2,1H3.
What are the key properties of [3,4-dihydro-1H-isochromen-1-yl-(6-methyl-3-pyridinyl)methyl]hydrazine?
[3,4-dihydro-1H-isochromen-1-yl-(6-methyl-3-pyridinyl)methyl]hydrazine has a molecular weight of 269.35 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3,4-dihydro-1H-isochromen-1-yl-(6-methyl-3-pyridinyl)methyl]hydrazine is sourced from PubChem (CID 105305603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).