(2,3-dimethyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-6-yl)hydrazine

C13H17N3 — CID 116983493

IUPAC(2,3-dimethyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-6-yl)hydrazine
SMILESCc1c(C)n2c3c(cc(NN)cc13)CCC2
InChIInChI=1S/C13H17N3/c1-8-9(2)16-5-3-4-10-6-11(15-14)7-12(8)13(10)16/h6-7,15H,3-5,14H2,1-2H3
InChIKeyKLXFZXWBEZBEHQ-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.49
Rot. Bonds1

About (2,3-dimethyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-6-yl)hydrazine

(2,3-dimethyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-6-yl)hydrazine (PubChem CID 116983493) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is (2,3-dimethyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-6-yl)hydrazine.

Molecular Properties

Compound Name(2,3-dimethyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-6-yl)hydrazine
PubChem CID116983493
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name(2,3-dimethyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-6-yl)hydrazine
SMILESCc1c(C)n2c3c(cc(NN)cc13)CCC2
InChIInChI=1S/C13H17N3/c1-8-9(2)16-5-3-4-10-6-11(15-14)7-12(8)13(10)16/h6-7,15H,3-5,14H2,1-2H3
InChIKeyKLXFZXWBEZBEHQ-UHFFFAOYSA-N
XLogP2.49
TPSA42.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'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 (2,3-dimethyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-6-yl)hydrazine?
The IUPAC name of (2,3-dimethyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-6-yl)hydrazine (CID 116983493) is (2,3-dimethyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-6-yl)hydrazine.
What is the SMILES notation for (2,3-dimethyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-6-yl)hydrazine?
The canonical SMILES for (2,3-dimethyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-6-yl)hydrazine is Cc1c(C)n2c3c(cc(NN)cc13)CCC2.
What is the InChIKey of (2,3-dimethyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-6-yl)hydrazine?
The InChIKey is KLXFZXWBEZBEHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-8-9(2)16-5-3-4-10-6-11(15-14)7-12(8)13(10)16/h6-7,15H,3-5,14H2,1-2H3.
What are the key properties of (2,3-dimethyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-6-yl)hydrazine?
(2,3-dimethyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-6-yl)hydrazine has a molecular weight of 215.30 g/mol, XLogP of 2.49, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-6-yl)hydrazine is sourced from PubChem (CID 116983493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).