5-[hydrazinyl(methyl)amino]-6-methylidenecyclohexa-1,3-diene

C8H13N3 — CID 89295291

IUPAC5-[hydrazinyl(methyl)amino]-6-methylidenecyclohexa-1,3-diene
SMILESC=C1C=CC=CC1N(C)NN
InChIInChI=1S/C8H13N3/c1-7-5-3-4-6-8(7)11(2)10-9/h3-6,8,10H,1,9H2,2H3
InChIKeyKOLGXGXGQFXLCZ-UHFFFAOYSA-N
MW151.21 g/mol
LogP0.35
Rot. Bonds2

About 5-[hydrazinyl(methyl)amino]-6-methylidenecyclohexa-1,3-diene

5-[hydrazinyl(methyl)amino]-6-methylidenecyclohexa-1,3-diene (PubChem CID 89295291) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is 5-[hydrazinyl(methyl)amino]-6-methylidenecyclohexa-1,3-diene.

Molecular Properties

Compound Name5-[hydrazinyl(methyl)amino]-6-methylidenecyclohexa-1,3-diene
PubChem CID89295291
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name5-[hydrazinyl(methyl)amino]-6-methylidenecyclohexa-1,3-diene
SMILESC=C1C=CC=CC1N(C)NN
InChIInChI=1S/C8H13N3/c1-7-5-3-4-6-8(7)11(2)10-9/h3-6,8,10H,1,9H2,2H3
InChIKeyKOLGXGXGQFXLCZ-UHFFFAOYSA-N
XLogP0.35
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 50.35
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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Frequently Asked Questions

What is the IUPAC name of 5-[hydrazinyl(methyl)amino]-6-methylidenecyclohexa-1,3-diene?
The IUPAC name of 5-[hydrazinyl(methyl)amino]-6-methylidenecyclohexa-1,3-diene (CID 89295291) is 5-[hydrazinyl(methyl)amino]-6-methylidenecyclohexa-1,3-diene.
What is the SMILES notation for 5-[hydrazinyl(methyl)amino]-6-methylidenecyclohexa-1,3-diene?
The canonical SMILES for 5-[hydrazinyl(methyl)amino]-6-methylidenecyclohexa-1,3-diene is C=C1C=CC=CC1N(C)NN.
What is the InChIKey of 5-[hydrazinyl(methyl)amino]-6-methylidenecyclohexa-1,3-diene?
The InChIKey is KOLGXGXGQFXLCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3/c1-7-5-3-4-6-8(7)11(2)10-9/h3-6,8,10H,1,9H2,2H3.
What are the key properties of 5-[hydrazinyl(methyl)amino]-6-methylidenecyclohexa-1,3-diene?
5-[hydrazinyl(methyl)amino]-6-methylidenecyclohexa-1,3-diene has a molecular weight of 151.21 g/mol, XLogP of 0.35, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[hydrazinyl(methyl)amino]-6-methylidenecyclohexa-1,3-diene is sourced from PubChem (CID 89295291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).