(12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl)hydrazine

C11H14N4OS — CID 826482

IUPAC(12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl)hydrazine
SMILESCC1(C)Cc2c(sc3ncnc(NN)c23)CO1
InChIInChI=1S/C11H14N4OS/c1-11(2)3-6-7(4-16-11)17-10-8(6)9(15-12)13-5-14-10/h5H,3-4,12H2,1-2H3,(H,13,14,15)
InChIKeyDXSIYPPRTKDPLY-UHFFFAOYSA-N
MW250.33 g/mol
LogP1.83
Rot. Bonds1

About (12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl)hydrazine

(12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl)hydrazine (PubChem CID 826482) has the molecular formula C11H14N4OS and a molecular weight of 250.33 g/mol. Its IUPAC name is (12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl)hydrazine.

Molecular Properties

Compound Name(12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl)hydrazine
PubChem CID826482
Molecular FormulaC11H14N4OS
Molecular Weight250.33 g/mol
Exact Mass250.09
IUPAC Name(12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl)hydrazine
SMILESCC1(C)Cc2c(sc3ncnc(NN)c23)CO1
InChIInChI=1S/C11H14N4OS/c1-11(2)3-6-7(4-16-11)17-10-8(6)9(15-12)13-5-14-10/h5H,3-4,12H2,1-2H3,(H,13,14,15)
InChIKeyDXSIYPPRTKDPLY-UHFFFAOYSA-N
XLogP1.83
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 (12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl)hydrazine?
The IUPAC name of (12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl)hydrazine (CID 826482) is (12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl)hydrazine.
What is the SMILES notation for (12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl)hydrazine?
The canonical SMILES for (12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl)hydrazine is CC1(C)Cc2c(sc3ncnc(NN)c23)CO1.
What is the InChIKey of (12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl)hydrazine?
The InChIKey is DXSIYPPRTKDPLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4OS/c1-11(2)3-6-7(4-16-11)17-10-8(6)9(15-12)13-5-14-10/h5H,3-4,12H2,1-2H3,(H,13,14,15).
What are the key properties of (12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl)hydrazine?
(12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl)hydrazine has a molecular weight of 250.33 g/mol, XLogP of 1.83, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl)hydrazine is sourced from PubChem (CID 826482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).