[2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(4-methyl-2-pyridinyl)ethyl]hydrazine

C16H19N3 — CID 105220072

IUPAC[2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(4-methyl-2-pyridinyl)ethyl]hydrazine
SMILESCc1ccnc(C(CC2Cc3ccccc32)NN)c1
InChIInChI=1S/C16H19N3/c1-11-6-7-18-15(8-11)16(19-17)10-13-9-12-4-2-3-5-14(12)13/h2-8,13,16,19H,9-10,17H2,1H3
InChIKeyMGMIRFNPKXLAOQ-UHFFFAOYSA-N
MW253.35 g/mol
LogP2.62
Rot. Bonds4

About [2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(4-methyl-2-pyridinyl)ethyl]hydrazine

[2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(4-methyl-2-pyridinyl)ethyl]hydrazine (PubChem CID 105220072) has the molecular formula C16H19N3 and a molecular weight of 253.35 g/mol. Its IUPAC name is [2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(4-methyl-2-pyridinyl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(4-methyl-2-pyridinyl)ethyl]hydrazine
PubChem CID105220072
Molecular FormulaC16H19N3
Molecular Weight253.35 g/mol
Exact Mass253.16
IUPAC Name[2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(4-methyl-2-pyridinyl)ethyl]hydrazine
SMILESCc1ccnc(C(CC2Cc3ccccc32)NN)c1
InChIInChI=1S/C16H19N3/c1-11-6-7-18-15(8-11)16(19-17)10-13-9-12-4-2-3-5-14(12)13/h2-8,13,16,19H,9-10,17H2,1H3
InChIKeyMGMIRFNPKXLAOQ-UHFFFAOYSA-N
XLogP2.62
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

[1-(4-methyl-2-pyridinyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]hydrazine
CID 105219935
[2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(6-methoxypyrimidin-4-yl)ethyl]hydrazine
CID 102953421
[2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(3,5-dimethylphenyl)ethyl]hydrazine
CID 105319368
[2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-pyrimidin-2-ylethyl]hydrazine
CID 105203771
[2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(2,4-dimethylphenyl)ethyl]hydrazine
CID 105319301
[2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(5-methylfuran-2-yl)ethyl]hydrazine
CID 105319371
[2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(3,4-dichlorophenyl)ethyl]hydrazine
CID 105257179
[2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(3,5-dibromophenyl)ethyl]hydrazine
CID 107979238
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)propan-2-ylhydrazine
CID 105201338
[2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(2,5-dichlorothiophen-3-yl)ethyl]hydrazine
CID 114022357
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(3,5-dimethylphenyl)-N-methylethanamine
CID 105003394
4-[2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-hydrazinylethyl]-N,N-dimethylaniline
CID 105319277

Frequently Asked Questions

What is the IUPAC name of [2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(4-methyl-2-pyridinyl)ethyl]hydrazine?
The IUPAC name of [2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(4-methyl-2-pyridinyl)ethyl]hydrazine (CID 105220072) is [2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(4-methyl-2-pyridinyl)ethyl]hydrazine.
What is the SMILES notation for [2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(4-methyl-2-pyridinyl)ethyl]hydrazine?
The canonical SMILES for [2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(4-methyl-2-pyridinyl)ethyl]hydrazine is Cc1ccnc(C(CC2Cc3ccccc32)NN)c1.
What is the InChIKey of [2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(4-methyl-2-pyridinyl)ethyl]hydrazine?
The InChIKey is MGMIRFNPKXLAOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3/c1-11-6-7-18-15(8-11)16(19-17)10-13-9-12-4-2-3-5-14(12)13/h2-8,13,16,19H,9-10,17H2,1H3.
What are the key properties of [2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(4-methyl-2-pyridinyl)ethyl]hydrazine?
[2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(4-methyl-2-pyridinyl)ethyl]hydrazine has a molecular weight of 253.35 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(4-methyl-2-pyridinyl)ethyl]hydrazine is sourced from PubChem (CID 105220072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).