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

C12H18N6OS — CID 4309503

IUPAC(12-ethyl-3-hydrazinyl-12-methyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-5-yl)hydrazine
SMILESCCC1(C)Cc2c(sc3nc(NN)nc(NN)c23)CO1
InChIInChI=1S/C12H18N6OS/c1-3-12(2)4-6-7(5-19-12)20-10-8(6)9(17-13)15-11(16-10)18-14/h3-5,13-14H2,1-2H3,(H2,15,16,17,18)
InChIKeyVPDNGXKMLSUHBT-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.50
Rot. Bonds3

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

(12-ethyl-3-hydrazinyl-12-methyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-5-yl)hydrazine (PubChem CID 4309503) has the molecular formula C12H18N6OS and a molecular weight of 294.38 g/mol. Its IUPAC name is (12-ethyl-3-hydrazinyl-12-methyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-5-yl)hydrazine.

Molecular Properties

Compound Name(12-ethyl-3-hydrazinyl-12-methyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-5-yl)hydrazine
PubChem CID4309503
Molecular FormulaC12H18N6OS
Molecular Weight294.38 g/mol
Exact Mass294.13
IUPAC Name(12-ethyl-3-hydrazinyl-12-methyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-5-yl)hydrazine
SMILESCCC1(C)Cc2c(sc3nc(NN)nc(NN)c23)CO1
InChIInChI=1S/C12H18N6OS/c1-3-12(2)4-6-7(5-19-12)20-10-8(6)9(17-13)15-11(16-10)18-14/h3-5,13-14H2,1-2H3,(H2,15,16,17,18)
InChIKeyVPDNGXKMLSUHBT-UHFFFAOYSA-N
XLogP1.50
TPSA111.11 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.50
H-Bond Donors ≤ 54
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 (12-ethyl-3-hydrazinyl-12-methyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-5-yl)hydrazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (12-ethyl-3-hydrazinyl-12-methyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-5-yl)hydrazine?
The IUPAC name of (12-ethyl-3-hydrazinyl-12-methyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-5-yl)hydrazine (CID 4309503) is (12-ethyl-3-hydrazinyl-12-methyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-5-yl)hydrazine.
What is the SMILES notation for (12-ethyl-3-hydrazinyl-12-methyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-5-yl)hydrazine?
The canonical SMILES for (12-ethyl-3-hydrazinyl-12-methyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-5-yl)hydrazine is CCC1(C)Cc2c(sc3nc(NN)nc(NN)c23)CO1.
What is the InChIKey of (12-ethyl-3-hydrazinyl-12-methyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-5-yl)hydrazine?
The InChIKey is VPDNGXKMLSUHBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6OS/c1-3-12(2)4-6-7(5-19-12)20-10-8(6)9(17-13)15-11(16-10)18-14/h3-5,13-14H2,1-2H3,(H2,15,16,17,18).
What are the key properties of (12-ethyl-3-hydrazinyl-12-methyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-5-yl)hydrazine?
(12-ethyl-3-hydrazinyl-12-methyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-5-yl)hydrazine has a molecular weight of 294.38 g/mol, XLogP of 1.50, 3 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (12-ethyl-3-hydrazinyl-12-methyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-5-yl)hydrazine is sourced from PubChem (CID 4309503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).