[10-(oxan-3-yl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl]hydrazine

C14H18N4OS — CID 65334127

IUPAC[10-(oxan-3-yl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl]hydrazine
SMILESNNc1nc(C2CCCOC2)nc2sc3c(c12)CCC3
InChIInChI=1S/C14H18N4OS/c15-18-13-11-9-4-1-5-10(9)20-14(11)17-12(16-13)8-3-2-6-19-7-8/h8H,1-7,15H2,(H,16,17,18)
InChIKeyDEDJVOVYCBPBJB-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.36
Rot. Bonds2

About [10-(oxan-3-yl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl]hydrazine

[10-(oxan-3-yl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl]hydrazine (PubChem CID 65334127) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is [10-(oxan-3-yl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl]hydrazine.

Molecular Properties

Compound Name[10-(oxan-3-yl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl]hydrazine
PubChem CID65334127
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC Name[10-(oxan-3-yl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl]hydrazine
SMILESNNc1nc(C2CCCOC2)nc2sc3c(c12)CCC3
InChIInChI=1S/C14H18N4OS/c15-18-13-11-9-4-1-5-10(9)20-14(11)17-12(16-13)8-3-2-6-19-7-8/h8H,1-7,15H2,(H,16,17,18)
InChIKeyDEDJVOVYCBPBJB-UHFFFAOYSA-N
XLogP2.36
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.36
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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Related Compounds

(10-cyclopropyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)hydrazine
CID 62252703
(2-cyclopentyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)hydrazine
CID 62251771
[2-(oxolan-2-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]hydrazine
CID 65328723
[2-(oxan-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine
CID 63741787
[10-(1,1-dioxothiolan-3-yl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl]hydrazine
CID 115337314
[10-(2-methylcyclopropyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl]hydrazine
CID 65421530
N-methyl-2-(oxan-4-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
CID 65334670
[2-(oxan-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl]hydrazine
CID 63740201
(10-methyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)hydrazine
CID 789820
[2-(oxolan-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine
CID 62312919
[2-(oxan-3-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine
CID 83201096
N-methyl-10-(4-methylcyclohexyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine
CID 63487286

Frequently Asked Questions

What is the IUPAC name of [10-(oxan-3-yl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl]hydrazine?
The IUPAC name of [10-(oxan-3-yl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl]hydrazine (CID 65334127) is [10-(oxan-3-yl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl]hydrazine.
What is the SMILES notation for [10-(oxan-3-yl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl]hydrazine?
The canonical SMILES for [10-(oxan-3-yl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl]hydrazine is NNc1nc(C2CCCOC2)nc2sc3c(c12)CCC3.
What is the InChIKey of [10-(oxan-3-yl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl]hydrazine?
The InChIKey is DEDJVOVYCBPBJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c15-18-13-11-9-4-1-5-10(9)20-14(11)17-12(16-13)8-3-2-6-19-7-8/h8H,1-7,15H2,(H,16,17,18).
What are the key properties of [10-(oxan-3-yl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl]hydrazine?
[10-(oxan-3-yl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl]hydrazine has a molecular weight of 290.39 g/mol, XLogP of 2.36, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [10-(oxan-3-yl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl]hydrazine is sourced from PubChem (CID 65334127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).