1-(5,7-dimethyl-1-azacyclohepta-1,3,5,6-tetraen-2-yl)-1-ethenylhydrazine

C10H13N3 — CID 90807757

IUPAC1-(5,7-dimethyl-1-azacyclohepta-1,3,5,6-tetraen-2-yl)-1-ethenylhydrazine
SMILESC=CN(N)C1=NC(C)=C=C(C)C=C1
InChIInChI=1S/C10H13N3/c1-4-13(11)10-6-5-8(2)7-9(3)12-10/h4-6H,1,11H2,2-3H3
InChIKeyYBZCRJQLYIEKSI-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.72
Rot. Bonds1

About 1-(5,7-dimethyl-1-azacyclohepta-1,3,5,6-tetraen-2-yl)-1-ethenylhydrazine

1-(5,7-dimethyl-1-azacyclohepta-1,3,5,6-tetraen-2-yl)-1-ethenylhydrazine (PubChem CID 90807757) has the molecular formula C10H13N3 and a molecular weight of 175.23 g/mol. Its IUPAC name is 1-(5,7-dimethyl-1-azacyclohepta-1,3,5,6-tetraen-2-yl)-1-ethenylhydrazine.

Molecular Properties

Compound Name1-(5,7-dimethyl-1-azacyclohepta-1,3,5,6-tetraen-2-yl)-1-ethenylhydrazine
PubChem CID90807757
Molecular FormulaC10H13N3
Molecular Weight175.23 g/mol
Exact Mass175.11
IUPAC Name1-(5,7-dimethyl-1-azacyclohepta-1,3,5,6-tetraen-2-yl)-1-ethenylhydrazine
SMILESC=CN(N)C1=NC(C)=C=C(C)C=C1
InChIInChI=1S/C10H13N3/c1-4-13(11)10-6-5-8(2)7-9(3)12-10/h4-6H,1,11H2,2-3H3
InChIKeyYBZCRJQLYIEKSI-UHFFFAOYSA-N
XLogP1.72
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.72
H-Bond Donors ≤ 51
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 1-(5,7-dimethyl-1-azacyclohepta-1,3,5,6-tetraen-2-yl)-1-ethenylhydrazine?
The IUPAC name of 1-(5,7-dimethyl-1-azacyclohepta-1,3,5,6-tetraen-2-yl)-1-ethenylhydrazine (CID 90807757) is 1-(5,7-dimethyl-1-azacyclohepta-1,3,5,6-tetraen-2-yl)-1-ethenylhydrazine.
What is the SMILES notation for 1-(5,7-dimethyl-1-azacyclohepta-1,3,5,6-tetraen-2-yl)-1-ethenylhydrazine?
The canonical SMILES for 1-(5,7-dimethyl-1-azacyclohepta-1,3,5,6-tetraen-2-yl)-1-ethenylhydrazine is C=CN(N)C1=NC(C)=C=C(C)C=C1.
What is the InChIKey of 1-(5,7-dimethyl-1-azacyclohepta-1,3,5,6-tetraen-2-yl)-1-ethenylhydrazine?
The InChIKey is YBZCRJQLYIEKSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3/c1-4-13(11)10-6-5-8(2)7-9(3)12-10/h4-6H,1,11H2,2-3H3.
What are the key properties of 1-(5,7-dimethyl-1-azacyclohepta-1,3,5,6-tetraen-2-yl)-1-ethenylhydrazine?
1-(5,7-dimethyl-1-azacyclohepta-1,3,5,6-tetraen-2-yl)-1-ethenylhydrazine has a molecular weight of 175.23 g/mol, XLogP of 1.72, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,7-dimethyl-1-azacyclohepta-1,3,5,6-tetraen-2-yl)-1-ethenylhydrazine is sourced from PubChem (CID 90807757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).