3-propyl-1,2,3-benzotriazin-4-one

C10H11N3O — CID 902501

IUPAC3-propyl-1,2,3-benzotriazin-4-one
SMILESCCCn1nnc2ccccc2c1=O
InChIInChI=1S/C10H11N3O/c1-2-7-13-10(14)8-5-3-4-6-9(8)11-12-13/h3-6H,2,7H2,1H3
InChIKeyURTNYDOSUYKMJN-UHFFFAOYSA-N
MW189.22 g/mol
LogP1.20
Rot. Bonds2

About 3-propyl-1,2,3-benzotriazin-4-one

3-propyl-1,2,3-benzotriazin-4-one (PubChem CID 902501) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is 3-propyl-1,2,3-benzotriazin-4-one.

Molecular Properties

Compound Name3-propyl-1,2,3-benzotriazin-4-one
PubChem CID902501
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name3-propyl-1,2,3-benzotriazin-4-one
SMILESCCCn1nnc2ccccc2c1=O
InChIInChI=1S/C10H11N3O/c1-2-7-13-10(14)8-5-3-4-6-9(8)11-12-13/h3-6H,2,7H2,1H3
InChIKeyURTNYDOSUYKMJN-UHFFFAOYSA-N
XLogP1.20
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-propyl-1,2,3-benzotriazin-4-one?
The IUPAC name of 3-propyl-1,2,3-benzotriazin-4-one (CID 902501) is 3-propyl-1,2,3-benzotriazin-4-one.
What is the SMILES notation for 3-propyl-1,2,3-benzotriazin-4-one?
The canonical SMILES for 3-propyl-1,2,3-benzotriazin-4-one is CCCn1nnc2ccccc2c1=O.
What is the InChIKey of 3-propyl-1,2,3-benzotriazin-4-one?
The InChIKey is URTNYDOSUYKMJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c1-2-7-13-10(14)8-5-3-4-6-9(8)11-12-13/h3-6H,2,7H2,1H3.
What are the key properties of 3-propyl-1,2,3-benzotriazin-4-one?
3-propyl-1,2,3-benzotriazin-4-one has a molecular weight of 189.22 g/mol, XLogP of 1.20, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-1,2,3-benzotriazin-4-one is sourced from PubChem (CID 902501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).