[1H-imidazol-2-yl(isoquinolin-8-yl)methyl]hydrazine

C13H13N5 — CID 103140456

IUPAC[1H-imidazol-2-yl(isoquinolin-8-yl)methyl]hydrazine
SMILESNNC(c1ncc[nH]1)c1cccc2ccncc12
InChIInChI=1S/C13H13N5/c14-18-12(13-16-6-7-17-13)10-3-1-2-9-4-5-15-8-11(9)10/h1-8,12,18H,14H2,(H,16,17)
InChIKeyAUOWVBPBLHKKTO-UHFFFAOYSA-N
MW239.28 g/mol
LogP1.51
Rot. Bonds3

About [1H-imidazol-2-yl(isoquinolin-8-yl)methyl]hydrazine

[1H-imidazol-2-yl(isoquinolin-8-yl)methyl]hydrazine (PubChem CID 103140456) has the molecular formula C13H13N5 and a molecular weight of 239.28 g/mol. Its IUPAC name is [1H-imidazol-2-yl(isoquinolin-8-yl)methyl]hydrazine.

Molecular Properties

Compound Name[1H-imidazol-2-yl(isoquinolin-8-yl)methyl]hydrazine
PubChem CID103140456
Molecular FormulaC13H13N5
Molecular Weight239.28 g/mol
Exact Mass239.12
IUPAC Name[1H-imidazol-2-yl(isoquinolin-8-yl)methyl]hydrazine
SMILESNNC(c1ncc[nH]1)c1cccc2ccncc12
InChIInChI=1S/C13H13N5/c14-18-12(13-16-6-7-17-13)10-3-1-2-9-4-5-15-8-11(9)10/h1-8,12,18H,14H2,(H,16,17)
InChIKeyAUOWVBPBLHKKTO-UHFFFAOYSA-N
XLogP1.51
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 51.51
H-Bond Donors ≤ 53
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

[(2-ethoxyphenyl)-(1H-imidazol-2-yl)methyl]hydrazine
CID 105252010
[(4-bromophenyl)-isoquinolin-8-ylmethyl]hydrazine
CID 103139727
[(3-bromo-2-pyridinyl)-isoquinolin-8-ylmethyl]hydrazine
CID 103140603
[1H-imidazol-2-yl(phenyl)methyl]hydrazine
CID 105251994
[1H-imidazol-2-yl-(2-propoxyphenyl)methyl]hydrazine
CID 105252074
[(3-bromo-2-fluorophenyl)-isoquinolin-8-ylmethyl]hydrazine
CID 107954360
4-[hydrazinyl(isoquinolin-8-yl)methyl]-1-methylpyrazol-5-amine
CID 103140237
[(2-fluoro-5-methylphenyl)-isoquinolin-8-ylmethyl]hydrazine
CID 103141724
[(3-bromo-4-fluorophenyl)-isoquinolin-8-ylmethyl]hydrazine
CID 103140566
1-isoquinolin-8-yl-N-methyl-1-(2-methylphenyl)methanamine
CID 103136230
(2-ethoxy-2-ethyl-1-isoquinolin-8-ylbutyl)hydrazine
CID 103140666
[(2,3-difluoro-4-methylphenyl)-(1H-imidazol-2-yl)methyl]hydrazine
CID 107516464

Frequently Asked Questions

What is the IUPAC name of [1H-imidazol-2-yl(isoquinolin-8-yl)methyl]hydrazine?
The IUPAC name of [1H-imidazol-2-yl(isoquinolin-8-yl)methyl]hydrazine (CID 103140456) is [1H-imidazol-2-yl(isoquinolin-8-yl)methyl]hydrazine.
What is the SMILES notation for [1H-imidazol-2-yl(isoquinolin-8-yl)methyl]hydrazine?
The canonical SMILES for [1H-imidazol-2-yl(isoquinolin-8-yl)methyl]hydrazine is NNC(c1ncc[nH]1)c1cccc2ccncc12.
What is the InChIKey of [1H-imidazol-2-yl(isoquinolin-8-yl)methyl]hydrazine?
The InChIKey is AUOWVBPBLHKKTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5/c14-18-12(13-16-6-7-17-13)10-3-1-2-9-4-5-15-8-11(9)10/h1-8,12,18H,14H2,(H,16,17).
What are the key properties of [1H-imidazol-2-yl(isoquinolin-8-yl)methyl]hydrazine?
[1H-imidazol-2-yl(isoquinolin-8-yl)methyl]hydrazine has a molecular weight of 239.28 g/mol, XLogP of 1.51, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1H-imidazol-2-yl(isoquinolin-8-yl)methyl]hydrazine is sourced from PubChem (CID 103140456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).