5-hydrazinyl-13,13-dimethyl-6-phenyl-12-oxa-2,4,6-triazatricyclo[8.4.0.03,8]tetradeca-1,3(8),4,9-tetraen-7-one

C18H19N5O2 — CID 877995

IUPAC5-hydrazinyl-13,13-dimethyl-6-phenyl-12-oxa-2,4,6-triazatricyclo[8.4.0.03,8]tetradeca-1,3(8),4,9-tetraen-7-one
SMILESCC1(C)Cc2nc3nc(NN)n(-c4ccccc4)c(=O)c3cc2CO1
InChIInChI=1S/C18H19N5O2/c1-18(2)9-14-11(10-25-18)8-13-15(20-14)21-17(22-19)23(16(13)24)12-6-4-3-5-7-12/h3-8H,9-10,19H2,1-2H3,(H,20,21,22)
InChIKeyZARBVRRBTBEAKG-UHFFFAOYSA-N
MW337.38 g/mol
LogP1.92
Rot. Bonds2

About 5-hydrazinyl-13,13-dimethyl-6-phenyl-12-oxa-2,4,6-triazatricyclo[8.4.0.03,8]tetradeca-1,3(8),4,9-tetraen-7-one

5-hydrazinyl-13,13-dimethyl-6-phenyl-12-oxa-2,4,6-triazatricyclo[8.4.0.03,8]tetradeca-1,3(8),4,9-tetraen-7-one (PubChem CID 877995) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 5-hydrazinyl-13,13-dimethyl-6-phenyl-12-oxa-2,4,6-triazatricyclo[8.4.0.03,8]tetradeca-1,3(8),4,9-tetraen-7-one.

Molecular Properties

Compound Name5-hydrazinyl-13,13-dimethyl-6-phenyl-12-oxa-2,4,6-triazatricyclo[8.4.0.03,8]tetradeca-1,3(8),4,9-tetraen-7-one
PubChem CID877995
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name5-hydrazinyl-13,13-dimethyl-6-phenyl-12-oxa-2,4,6-triazatricyclo[8.4.0.03,8]tetradeca-1,3(8),4,9-tetraen-7-one
SMILESCC1(C)Cc2nc3nc(NN)n(-c4ccccc4)c(=O)c3cc2CO1
InChIInChI=1S/C18H19N5O2/c1-18(2)9-14-11(10-25-18)8-13-15(20-14)21-17(22-19)23(16(13)24)12-6-4-3-5-7-12/h3-8H,9-10,19H2,1-2H3,(H,20,21,22)
InChIKeyZARBVRRBTBEAKG-UHFFFAOYSA-N
XLogP1.92
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-hydrazinyl-13,13-dimethyl-6-phenyl-12-oxa-2,4,6-triazatricyclo[8.4.0.03,8]tetradeca-1,3(8),4,9-tetraen-7-one?
The IUPAC name of 5-hydrazinyl-13,13-dimethyl-6-phenyl-12-oxa-2,4,6-triazatricyclo[8.4.0.03,8]tetradeca-1,3(8),4,9-tetraen-7-one (CID 877995) is 5-hydrazinyl-13,13-dimethyl-6-phenyl-12-oxa-2,4,6-triazatricyclo[8.4.0.03,8]tetradeca-1,3(8),4,9-tetraen-7-one.
What is the SMILES notation for 5-hydrazinyl-13,13-dimethyl-6-phenyl-12-oxa-2,4,6-triazatricyclo[8.4.0.03,8]tetradeca-1,3(8),4,9-tetraen-7-one?
The canonical SMILES for 5-hydrazinyl-13,13-dimethyl-6-phenyl-12-oxa-2,4,6-triazatricyclo[8.4.0.03,8]tetradeca-1,3(8),4,9-tetraen-7-one is CC1(C)Cc2nc3nc(NN)n(-c4ccccc4)c(=O)c3cc2CO1.
What is the InChIKey of 5-hydrazinyl-13,13-dimethyl-6-phenyl-12-oxa-2,4,6-triazatricyclo[8.4.0.03,8]tetradeca-1,3(8),4,9-tetraen-7-one?
The InChIKey is ZARBVRRBTBEAKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-18(2)9-14-11(10-25-18)8-13-15(20-14)21-17(22-19)23(16(13)24)12-6-4-3-5-7-12/h3-8H,9-10,19H2,1-2H3,(H,20,21,22).
What are the key properties of 5-hydrazinyl-13,13-dimethyl-6-phenyl-12-oxa-2,4,6-triazatricyclo[8.4.0.03,8]tetradeca-1,3(8),4,9-tetraen-7-one?
5-hydrazinyl-13,13-dimethyl-6-phenyl-12-oxa-2,4,6-triazatricyclo[8.4.0.03,8]tetradeca-1,3(8),4,9-tetraen-7-one has a molecular weight of 337.38 g/mol, XLogP of 1.92, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydrazinyl-13,13-dimethyl-6-phenyl-12-oxa-2,4,6-triazatricyclo[8.4.0.03,8]tetradeca-1,3(8),4,9-tetraen-7-one is sourced from PubChem (CID 877995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).