3-(4-propan-2-ylphenyl)-1,2,3-benzotriazin-4-one

C16H15N3O — CID 2806547

IUPAC3-(4-propan-2-ylphenyl)-1,2,3-benzotriazin-4-one
SMILESCC(C)c1ccc(-n2nnc3ccccc3c2=O)cc1
InChIInChI=1S/C16H15N3O/c1-11(2)12-7-9-13(10-8-12)19-16(20)14-5-3-4-6-15(14)17-18-19/h3-11H,1-2H3
InChIKeyGIUSFYRLDQEYKG-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.90
Rot. Bonds2

About 3-(4-propan-2-ylphenyl)-1,2,3-benzotriazin-4-one

3-(4-propan-2-ylphenyl)-1,2,3-benzotriazin-4-one (PubChem CID 2806547) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 3-(4-propan-2-ylphenyl)-1,2,3-benzotriazin-4-one.

Molecular Properties

Compound Name3-(4-propan-2-ylphenyl)-1,2,3-benzotriazin-4-one
PubChem CID2806547
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name3-(4-propan-2-ylphenyl)-1,2,3-benzotriazin-4-one
SMILESCC(C)c1ccc(-n2nnc3ccccc3c2=O)cc1
InChIInChI=1S/C16H15N3O/c1-11(2)12-7-9-13(10-8-12)19-16(20)14-5-3-4-6-15(14)17-18-19/h3-11H,1-2H3
InChIKeyGIUSFYRLDQEYKG-UHFFFAOYSA-N
XLogP2.90
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,2-dimethoxyethyl)-4-(4-oxo-1,2,3-benzotriazin-3-yl)benzamide
CID 23793580
2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide
CID 27796048
cyclopropyl-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]-[(4-propan-2-ylphenyl)methyl]azanium
CID 9318213
3-propan-2-yloxy-1,2,3-benzotriazin-4-one
CID 58235374
6-methyl-3-phenyl-1,2,3-benzotriazin-4-one
CID 132525992
3-bromo-1,2,3-benzotriazin-4-one
CID 141391394
1-[4-(4-oxo-1,2,3-benzotriazin-3-yl)benzoyl]piperidine-4-carboxamide
CID 22589921
(2R)-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanoic acid
CID 7061916
3-(3-oxobutan-2-yl)-1,2,3-benzotriazin-4-one
CID 170011258
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-(4-oxo-1,2,3-benzotriazin-3-yl)benzamide
CID 45495848
3-[[5-(4-propan-2-ylanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one
CID 4797724
5-phenyl-1-(4-propan-2-ylphenyl)triazole-4-carbonitrile
CID 82197634

Frequently Asked Questions

What is the IUPAC name of 3-(4-propan-2-ylphenyl)-1,2,3-benzotriazin-4-one?
The IUPAC name of 3-(4-propan-2-ylphenyl)-1,2,3-benzotriazin-4-one (CID 2806547) is 3-(4-propan-2-ylphenyl)-1,2,3-benzotriazin-4-one.
What is the SMILES notation for 3-(4-propan-2-ylphenyl)-1,2,3-benzotriazin-4-one?
The canonical SMILES for 3-(4-propan-2-ylphenyl)-1,2,3-benzotriazin-4-one is CC(C)c1ccc(-n2nnc3ccccc3c2=O)cc1.
What is the InChIKey of 3-(4-propan-2-ylphenyl)-1,2,3-benzotriazin-4-one?
The InChIKey is GIUSFYRLDQEYKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-11(2)12-7-9-13(10-8-12)19-16(20)14-5-3-4-6-15(14)17-18-19/h3-11H,1-2H3.
What are the key properties of 3-(4-propan-2-ylphenyl)-1,2,3-benzotriazin-4-one?
3-(4-propan-2-ylphenyl)-1,2,3-benzotriazin-4-one has a molecular weight of 265.32 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-propan-2-ylphenyl)-1,2,3-benzotriazin-4-one is sourced from PubChem (CID 2806547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).