7-chloro-3-(cyclopropylmethyl)-1,2,3-benzotriazin-4-one

C11H10ClN3O — CID 167767911

IUPAC7-chloro-3-(cyclopropylmethyl)-1,2,3-benzotriazin-4-one
SMILESO=c1c2ccc(Cl)cc2nnn1CC1CC1
InChIInChI=1S/C11H10ClN3O/c12-8-3-4-9-10(5-8)13-14-15(11(9)16)6-7-1-2-7/h3-5,7H,1-2,6H2
InChIKeyZLWBPSVXCYJDLU-UHFFFAOYSA-N
MW235.67 g/mol
LogP1.85
Rot. Bonds2

About 7-chloro-3-(cyclopropylmethyl)-1,2,3-benzotriazin-4-one

7-chloro-3-(cyclopropylmethyl)-1,2,3-benzotriazin-4-one (PubChem CID 167767911) has the molecular formula C11H10ClN3O and a molecular weight of 235.67 g/mol. Its IUPAC name is 7-chloro-3-(cyclopropylmethyl)-1,2,3-benzotriazin-4-one.

Molecular Properties

Compound Name7-chloro-3-(cyclopropylmethyl)-1,2,3-benzotriazin-4-one
PubChem CID167767911
Molecular FormulaC11H10ClN3O
Molecular Weight235.67 g/mol
Exact Mass235.05
IUPAC Name7-chloro-3-(cyclopropylmethyl)-1,2,3-benzotriazin-4-one
SMILESO=c1c2ccc(Cl)cc2nnn1CC1CC1
InChIInChI=1S/C11H10ClN3O/c12-8-3-4-9-10(5-8)13-14-15(11(9)16)6-7-1-2-7/h3-5,7H,1-2,6H2
InChIKeyZLWBPSVXCYJDLU-UHFFFAOYSA-N
XLogP1.85
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.67
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-(cyclopropylmethyl)-1,2,3-benzotriazin-4-one?
The IUPAC name of 7-chloro-3-(cyclopropylmethyl)-1,2,3-benzotriazin-4-one (CID 167767911) is 7-chloro-3-(cyclopropylmethyl)-1,2,3-benzotriazin-4-one.
What is the SMILES notation for 7-chloro-3-(cyclopropylmethyl)-1,2,3-benzotriazin-4-one?
The canonical SMILES for 7-chloro-3-(cyclopropylmethyl)-1,2,3-benzotriazin-4-one is O=c1c2ccc(Cl)cc2nnn1CC1CC1.
What is the InChIKey of 7-chloro-3-(cyclopropylmethyl)-1,2,3-benzotriazin-4-one?
The InChIKey is ZLWBPSVXCYJDLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O/c12-8-3-4-9-10(5-8)13-14-15(11(9)16)6-7-1-2-7/h3-5,7H,1-2,6H2.
What are the key properties of 7-chloro-3-(cyclopropylmethyl)-1,2,3-benzotriazin-4-one?
7-chloro-3-(cyclopropylmethyl)-1,2,3-benzotriazin-4-one has a molecular weight of 235.67 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-(cyclopropylmethyl)-1,2,3-benzotriazin-4-one is sourced from PubChem (CID 167767911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).