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

C11H15N5O — CID 3300194

IUPAC(12,12-dimethyl-11-oxa-4,6,8-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraen-3-yl)hydrazine
SMILESCC1(C)Cc2c([nH]c3ncnc(NN)c23)CO1
InChIInChI=1S/C11H15N5O/c1-11(2)3-6-7(4-17-11)15-9-8(6)10(16-12)14-5-13-9/h5H,3-4,12H2,1-2H3,(H2,13,14,15,16)
InChIKeyBMHOPBCOXQHJND-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.09
Rot. Bonds1

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

(12,12-dimethyl-11-oxa-4,6,8-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraen-3-yl)hydrazine (PubChem CID 3300194) has the molecular formula C11H15N5O and a molecular weight of 233.27 g/mol. Its IUPAC name is (12,12-dimethyl-11-oxa-4,6,8-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraen-3-yl)hydrazine.

Molecular Properties

Compound Name(12,12-dimethyl-11-oxa-4,6,8-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraen-3-yl)hydrazine
PubChem CID3300194
Molecular FormulaC11H15N5O
Molecular Weight233.27 g/mol
Exact Mass233.13
IUPAC Name(12,12-dimethyl-11-oxa-4,6,8-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraen-3-yl)hydrazine
SMILESCC1(C)Cc2c([nH]c3ncnc(NN)c23)CO1
InChIInChI=1S/C11H15N5O/c1-11(2)3-6-7(4-17-11)15-9-8(6)10(16-12)14-5-13-9/h5H,3-4,12H2,1-2H3,(H2,13,14,15,16)
InChIKeyBMHOPBCOXQHJND-UHFFFAOYSA-N
XLogP1.09
TPSA88.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-4,6,8-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraen-3-yl)hydrazine?
The IUPAC name of (12,12-dimethyl-11-oxa-4,6,8-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraen-3-yl)hydrazine (CID 3300194) is (12,12-dimethyl-11-oxa-4,6,8-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraen-3-yl)hydrazine.
What is the SMILES notation for (12,12-dimethyl-11-oxa-4,6,8-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraen-3-yl)hydrazine?
The canonical SMILES for (12,12-dimethyl-11-oxa-4,6,8-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraen-3-yl)hydrazine is CC1(C)Cc2c([nH]c3ncnc(NN)c23)CO1.
What is the InChIKey of (12,12-dimethyl-11-oxa-4,6,8-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraen-3-yl)hydrazine?
The InChIKey is BMHOPBCOXQHJND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c1-11(2)3-6-7(4-17-11)15-9-8(6)10(16-12)14-5-13-9/h5H,3-4,12H2,1-2H3,(H2,13,14,15,16).
What are the key properties of (12,12-dimethyl-11-oxa-4,6,8-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraen-3-yl)hydrazine?
(12,12-dimethyl-11-oxa-4,6,8-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraen-3-yl)hydrazine has a molecular weight of 233.27 g/mol, XLogP of 1.09, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (12,12-dimethyl-11-oxa-4,6,8-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraen-3-yl)hydrazine is sourced from PubChem (CID 3300194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).