(14,14-dimethyl-13-oxa-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-7-yl)hydrazine

C12H14N6OS — CID 2047526

IUPAC(14,14-dimethyl-13-oxa-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-7-yl)hydrazine
SMILESCC1(C)Cc2c(sc3nc(NN)n4cnnc4c23)CO1
InChIInChI=1S/C12H14N6OS/c1-12(2)3-6-7(4-19-12)20-10-8(6)9-17-14-5-18(9)11(15-10)16-13/h5H,3-4,13H2,1-2H3,(H,15,16)
InChIKeyVWOBUCFKJHCWJW-UHFFFAOYSA-N
MW290.35 g/mol
LogP1.48
Rot. Bonds1

About (14,14-dimethyl-13-oxa-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-7-yl)hydrazine

(14,14-dimethyl-13-oxa-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-7-yl)hydrazine (PubChem CID 2047526) has the molecular formula C12H14N6OS and a molecular weight of 290.35 g/mol. Its IUPAC name is (14,14-dimethyl-13-oxa-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-7-yl)hydrazine.

Molecular Properties

Compound Name(14,14-dimethyl-13-oxa-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-7-yl)hydrazine
PubChem CID2047526
Molecular FormulaC12H14N6OS
Molecular Weight290.35 g/mol
Exact Mass290.09
IUPAC Name(14,14-dimethyl-13-oxa-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-7-yl)hydrazine
SMILESCC1(C)Cc2c(sc3nc(NN)n4cnnc4c23)CO1
InChIInChI=1S/C12H14N6OS/c1-12(2)3-6-7(4-19-12)20-10-8(6)9-17-14-5-18(9)11(15-10)16-13/h5H,3-4,13H2,1-2H3,(H,15,16)
InChIKeyVWOBUCFKJHCWJW-UHFFFAOYSA-N
XLogP1.48
TPSA90.36 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (14,14-dimethyl-13-oxa-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-7-yl)hydrazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (14,14-dimethyl-13-oxa-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-7-yl)hydrazine?
The IUPAC name of (14,14-dimethyl-13-oxa-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-7-yl)hydrazine (CID 2047526) is (14,14-dimethyl-13-oxa-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-7-yl)hydrazine.
What is the SMILES notation for (14,14-dimethyl-13-oxa-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-7-yl)hydrazine?
The canonical SMILES for (14,14-dimethyl-13-oxa-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-7-yl)hydrazine is CC1(C)Cc2c(sc3nc(NN)n4cnnc4c23)CO1.
What is the InChIKey of (14,14-dimethyl-13-oxa-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-7-yl)hydrazine?
The InChIKey is VWOBUCFKJHCWJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6OS/c1-12(2)3-6-7(4-19-12)20-10-8(6)9-17-14-5-18(9)11(15-10)16-13/h5H,3-4,13H2,1-2H3,(H,15,16).
What are the key properties of (14,14-dimethyl-13-oxa-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-7-yl)hydrazine?
(14,14-dimethyl-13-oxa-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-7-yl)hydrazine has a molecular weight of 290.35 g/mol, XLogP of 1.48, 1 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (14,14-dimethyl-13-oxa-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-7-yl)hydrazine is sourced from PubChem (CID 2047526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).