2,8,8-trimethyl-3-phenyl-7,9-dihydropyrazolo[5,1-c][1,2,4]benzotriazin-6-one

C18H18N4O — CID 6471517

IUPAC2,8,8-trimethyl-3-phenyl-7,9-dihydropyrazolo[5,1-c][1,2,4]benzotriazin-6-one
SMILESCc1nn2c3c(nnc2c1-c1ccccc1)C(=O)CC(C)(C)C3
InChIInChI=1S/C18H18N4O/c1-11-15(12-7-5-4-6-8-12)17-20-19-16-13(22(17)21-11)9-18(2,3)10-14(16)23/h4-8H,9-10H2,1-3H3
InChIKeyPRZOEDQNYJYZAD-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.25
Rot. Bonds1

About 2,8,8-trimethyl-3-phenyl-7,9-dihydropyrazolo[5,1-c][1,2,4]benzotriazin-6-one

2,8,8-trimethyl-3-phenyl-7,9-dihydropyrazolo[5,1-c][1,2,4]benzotriazin-6-one (PubChem CID 6471517) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is 2,8,8-trimethyl-3-phenyl-7,9-dihydropyrazolo[5,1-c][1,2,4]benzotriazin-6-one.

Molecular Properties

Compound Name2,8,8-trimethyl-3-phenyl-7,9-dihydropyrazolo[5,1-c][1,2,4]benzotriazin-6-one
PubChem CID6471517
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC Name2,8,8-trimethyl-3-phenyl-7,9-dihydropyrazolo[5,1-c][1,2,4]benzotriazin-6-one
SMILESCc1nn2c3c(nnc2c1-c1ccccc1)C(=O)CC(C)(C)C3
InChIInChI=1S/C18H18N4O/c1-11-15(12-7-5-4-6-8-12)17-20-19-16-13(22(17)21-11)9-18(2,3)10-14(16)23/h4-8H,9-10H2,1-3H3
InChIKeyPRZOEDQNYJYZAD-UHFFFAOYSA-N
XLogP3.25
TPSA60.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,8,8-trimethyl-3-phenyl-7,9-dihydropyrazolo[5,1-c][1,2,4]benzotriazin-6-one?
The IUPAC name of 2,8,8-trimethyl-3-phenyl-7,9-dihydropyrazolo[5,1-c][1,2,4]benzotriazin-6-one (CID 6471517) is 2,8,8-trimethyl-3-phenyl-7,9-dihydropyrazolo[5,1-c][1,2,4]benzotriazin-6-one.
What is the SMILES notation for 2,8,8-trimethyl-3-phenyl-7,9-dihydropyrazolo[5,1-c][1,2,4]benzotriazin-6-one?
The canonical SMILES for 2,8,8-trimethyl-3-phenyl-7,9-dihydropyrazolo[5,1-c][1,2,4]benzotriazin-6-one is Cc1nn2c3c(nnc2c1-c1ccccc1)C(=O)CC(C)(C)C3.
What is the InChIKey of 2,8,8-trimethyl-3-phenyl-7,9-dihydropyrazolo[5,1-c][1,2,4]benzotriazin-6-one?
The InChIKey is PRZOEDQNYJYZAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c1-11-15(12-7-5-4-6-8-12)17-20-19-16-13(22(17)21-11)9-18(2,3)10-14(16)23/h4-8H,9-10H2,1-3H3.
What are the key properties of 2,8,8-trimethyl-3-phenyl-7,9-dihydropyrazolo[5,1-c][1,2,4]benzotriazin-6-one?
2,8,8-trimethyl-3-phenyl-7,9-dihydropyrazolo[5,1-c][1,2,4]benzotriazin-6-one has a molecular weight of 306.37 g/mol, XLogP of 3.25, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8,8-trimethyl-3-phenyl-7,9-dihydropyrazolo[5,1-c][1,2,4]benzotriazin-6-one is sourced from PubChem (CID 6471517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).