[3,4-dihydro-1H-isochromen-1-yl-(1-methylimidazol-2-yl)methyl]hydrazine

C14H18N4O — CID 105308335

IUPAC[3,4-dihydro-1H-isochromen-1-yl-(1-methylimidazol-2-yl)methyl]hydrazine
SMILESCn1ccnc1C(NN)C1OCCc2ccccc21
InChIInChI=1S/C14H18N4O/c1-18-8-7-16-14(18)12(17-15)13-11-5-3-2-4-10(11)6-9-19-13/h2-5,7-8,12-13,17H,6,9,15H2,1H3
InChIKeyAEBYZIFEVCFHRO-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.24
Rot. Bonds3

About [3,4-dihydro-1H-isochromen-1-yl-(1-methylimidazol-2-yl)methyl]hydrazine

[3,4-dihydro-1H-isochromen-1-yl-(1-methylimidazol-2-yl)methyl]hydrazine (PubChem CID 105308335) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is [3,4-dihydro-1H-isochromen-1-yl-(1-methylimidazol-2-yl)methyl]hydrazine.

Molecular Properties

Compound Name[3,4-dihydro-1H-isochromen-1-yl-(1-methylimidazol-2-yl)methyl]hydrazine
PubChem CID105308335
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name[3,4-dihydro-1H-isochromen-1-yl-(1-methylimidazol-2-yl)methyl]hydrazine
SMILESCn1ccnc1C(NN)C1OCCc2ccccc21
InChIInChI=1S/C14H18N4O/c1-18-8-7-16-14(18)12(17-15)13-11-5-3-2-4-10(11)6-9-19-13/h2-5,7-8,12-13,17H,6,9,15H2,1H3
InChIKeyAEBYZIFEVCFHRO-UHFFFAOYSA-N
XLogP1.24
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

[3,4-dihydro-1H-isochromen-1-yl-(6-methyl-3-pyridinyl)methyl]hydrazine
CID 105305603
[(1-methylimidazol-2-yl)-(4-methylmorpholin-2-yl)methyl]hydrazine
CID 105244400
[(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-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine
CID 115860005
1-(3,4-dihydro-1H-isochromen-1-yl)-N-methyl-1-phenylmethanamine
CID 105083589
[1-(3,4-dihydro-1H-isochromen-1-yl)-4-methylpentyl]hydrazine
CID 105294298
N-[(1-methylimidazol-2-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methyl]propan-1-amine
CID 63974331
1-(4-bromo-1-methylpyrazol-5-yl)-1-(3,4-dihydro-1H-isochromen-1-yl)-N-methylmethanamine
CID 105189671
[(1,4-dimethyl-1,4-diazepan-2-yl)-(1-methylimidazol-2-yl)methyl]hydrazine
CID 105261259
[(1-methylimidazol-2-yl)-(oxan-3-yl)methyl]hydrazine
CID 105229949
1-(3,4-dihydro-1H-isochromen-1-yl)pentylhydrazine
CID 105293861

Frequently Asked Questions

What is the IUPAC name of [3,4-dihydro-1H-isochromen-1-yl-(1-methylimidazol-2-yl)methyl]hydrazine?
The IUPAC name of [3,4-dihydro-1H-isochromen-1-yl-(1-methylimidazol-2-yl)methyl]hydrazine (CID 105308335) is [3,4-dihydro-1H-isochromen-1-yl-(1-methylimidazol-2-yl)methyl]hydrazine.
What is the SMILES notation for [3,4-dihydro-1H-isochromen-1-yl-(1-methylimidazol-2-yl)methyl]hydrazine?
The canonical SMILES for [3,4-dihydro-1H-isochromen-1-yl-(1-methylimidazol-2-yl)methyl]hydrazine is Cn1ccnc1C(NN)C1OCCc2ccccc21.
What is the InChIKey of [3,4-dihydro-1H-isochromen-1-yl-(1-methylimidazol-2-yl)methyl]hydrazine?
The InChIKey is AEBYZIFEVCFHRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-18-8-7-16-14(18)12(17-15)13-11-5-3-2-4-10(11)6-9-19-13/h2-5,7-8,12-13,17H,6,9,15H2,1H3.
What are the key properties of [3,4-dihydro-1H-isochromen-1-yl-(1-methylimidazol-2-yl)methyl]hydrazine?
[3,4-dihydro-1H-isochromen-1-yl-(1-methylimidazol-2-yl)methyl]hydrazine has a molecular weight of 258.32 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3,4-dihydro-1H-isochromen-1-yl-(1-methylimidazol-2-yl)methyl]hydrazine is sourced from PubChem (CID 105308335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).