3-[7-bicyclo[4.2.0]octa-1,3,5-trienyl(hydrazinyl)methyl]pyridin-2-amine

C14H16N4 — CID 105224736

IUPAC3-[7-bicyclo[4.2.0]octa-1,3,5-trienyl(hydrazinyl)methyl]pyridin-2-amine
SMILESNNC(c1cccnc1N)C1Cc2ccccc21
InChIInChI=1S/C14H16N4/c15-14-11(6-3-7-17-14)13(18-16)12-8-9-4-1-2-5-10(9)12/h1-7,12-13,18H,8,16H2,(H2,15,17)
InChIKeyBDIIBEFGHCVPNM-UHFFFAOYSA-N
MW240.31 g/mol
LogP1.51
Rot. Bonds3

About 3-[7-bicyclo[4.2.0]octa-1,3,5-trienyl(hydrazinyl)methyl]pyridin-2-amine

3-[7-bicyclo[4.2.0]octa-1,3,5-trienyl(hydrazinyl)methyl]pyridin-2-amine (PubChem CID 105224736) has the molecular formula C14H16N4 and a molecular weight of 240.31 g/mol. Its IUPAC name is 3-[7-bicyclo[4.2.0]octa-1,3,5-trienyl(hydrazinyl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name3-[7-bicyclo[4.2.0]octa-1,3,5-trienyl(hydrazinyl)methyl]pyridin-2-amine
PubChem CID105224736
Molecular FormulaC14H16N4
Molecular Weight240.31 g/mol
Exact Mass240.14
IUPAC Name3-[7-bicyclo[4.2.0]octa-1,3,5-trienyl(hydrazinyl)methyl]pyridin-2-amine
SMILESNNC(c1cccnc1N)C1Cc2ccccc21
InChIInChI=1S/C14H16N4/c15-14-11(6-3-7-17-14)13(18-16)12-8-9-4-1-2-5-10(9)12/h1-7,12-13,18H,8,16H2,(H2,15,17)
InChIKeyBDIIBEFGHCVPNM-UHFFFAOYSA-N
XLogP1.51
TPSA76.96 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
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

[7-bicyclo[4.2.0]octa-1,3,5-trienyl(quinolin-5-yl)methyl]hydrazine
CID 105224816
3-[cyclopentyl(hydrazinyl)methyl]pyridin-2-amine
CID 105204361
[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2-methylthiophen-3-yl)methyl]hydrazine
CID 102842792
3-[1,4-diazabicyclo[2.2.2]octan-2-yl(hydrazinyl)methyl]pyridin-2-amine
CID 105249962
[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2-chloro-5-fluorophenyl)methyl]hydrazine
CID 105397832
[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2,6-difluorophenyl)methyl]hydrazine
CID 105224671
[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2-fluoro-5-methylphenyl)methyl]hydrazine
CID 105224652
3-[hydrazinyl-(3-methylcyclopentyl)methyl]pyridin-2-amine
CID 105233187
7-bicyclo[4.2.0]octa-1,3,5-trienyl(quinolin-6-yl)methanamine
CID 81228640
3-[amino(7-bicyclo[4.2.0]octa-1,3,5-trienyl)methyl]-4-methylpyridin-2-amine
CID 64983989
[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(3-propyltriazol-4-yl)methyl]hydrazine
CID 105224717
3-[(3-ethylcyclohexyl)-hydrazinylmethyl]pyridin-2-amine
CID 105232901

Frequently Asked Questions

What is the IUPAC name of 3-[7-bicyclo[4.2.0]octa-1,3,5-trienyl(hydrazinyl)methyl]pyridin-2-amine?
The IUPAC name of 3-[7-bicyclo[4.2.0]octa-1,3,5-trienyl(hydrazinyl)methyl]pyridin-2-amine (CID 105224736) is 3-[7-bicyclo[4.2.0]octa-1,3,5-trienyl(hydrazinyl)methyl]pyridin-2-amine.
What is the SMILES notation for 3-[7-bicyclo[4.2.0]octa-1,3,5-trienyl(hydrazinyl)methyl]pyridin-2-amine?
The canonical SMILES for 3-[7-bicyclo[4.2.0]octa-1,3,5-trienyl(hydrazinyl)methyl]pyridin-2-amine is NNC(c1cccnc1N)C1Cc2ccccc21.
What is the InChIKey of 3-[7-bicyclo[4.2.0]octa-1,3,5-trienyl(hydrazinyl)methyl]pyridin-2-amine?
The InChIKey is BDIIBEFGHCVPNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4/c15-14-11(6-3-7-17-14)13(18-16)12-8-9-4-1-2-5-10(9)12/h1-7,12-13,18H,8,16H2,(H2,15,17).
What are the key properties of 3-[7-bicyclo[4.2.0]octa-1,3,5-trienyl(hydrazinyl)methyl]pyridin-2-amine?
3-[7-bicyclo[4.2.0]octa-1,3,5-trienyl(hydrazinyl)methyl]pyridin-2-amine has a molecular weight of 240.31 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 3-[7-bicyclo[4.2.0]octa-1,3,5-trienyl(hydrazinyl)methyl]pyridin-2-amine is sourced from PubChem (CID 105224736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).