(5,12,12-trimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl)hydrazine

C12H16N4OS — CID 3829221

IUPAC(5,12,12-trimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl)hydrazine
SMILESCc1nc(NN)c2c3c(sc2n1)COC(C)(C)C3
InChIInChI=1S/C12H16N4OS/c1-6-14-10(16-13)9-7-4-12(2,3)17-5-8(7)18-11(9)15-6/h4-5,13H2,1-3H3,(H,14,15,16)
InChIKeyMPPARKDPKXZYBJ-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.14
Rot. Bonds1

About (5,12,12-trimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl)hydrazine

(5,12,12-trimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl)hydrazine (PubChem CID 3829221) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is (5,12,12-trimethyl-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(5,12,12-trimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl)hydrazine
PubChem CID3829221
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC Name(5,12,12-trimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl)hydrazine
SMILESCc1nc(NN)c2c3c(sc2n1)COC(C)(C)C3
InChIInChI=1S/C12H16N4OS/c1-6-14-10(16-13)9-7-4-12(2,3)17-5-8(7)18-11(9)15-6/h4-5,13H2,1-3H3,(H,14,15,16)
InChIKeyMPPARKDPKXZYBJ-UHFFFAOYSA-N
XLogP2.14
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.14
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 (5,12,12-trimethyl-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 (5,12,12-trimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl)hydrazine (CID 3829221) is (5,12,12-trimethyl-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 (5,12,12-trimethyl-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 (5,12,12-trimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl)hydrazine is Cc1nc(NN)c2c3c(sc2n1)COC(C)(C)C3.
What is the InChIKey of (5,12,12-trimethyl-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 MPPARKDPKXZYBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS/c1-6-14-10(16-13)9-7-4-12(2,3)17-5-8(7)18-11(9)15-6/h4-5,13H2,1-3H3,(H,14,15,16).
What are the key properties of (5,12,12-trimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl)hydrazine?
(5,12,12-trimethyl-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 264.35 g/mol, XLogP of 2.14, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5,12,12-trimethyl-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 3829221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).