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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Related Compounds

3-amino-7-chloro-1,2,3-benzotriazin-4-one
CID 171985660
6-chloro-3-(chloromethyl)-1,2,3-benzotriazin-4-one
CID 606627
N-(3,4-difluorophenyl)-4-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]cyclohexane-1-carboxamide
CID 4903518
N-(3,5-dimethoxyphenyl)-4-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]cyclohexane-1-carboxamide
CID 4905241
4-chloro-2-(cyclopropylmethyl)pyridazin-3-one
CID 178099289
3-(9H-fluoren-9-ylmethyl)-1,2,3-benzotriazin-4-one
CID 11723833
7-chloro-3-[[(2R)-oxolan-2-yl]methyl]-2-[[(2R)-oxolan-2-yl]methylsulfanyl]quinazolin-4-one
CID 8601242
3-(piperidin-2-ylmethyl)-1,2,3-benzotriazin-4-one;hydrochloride
CID 78053632
(2S)-3-methyl-2-[[4-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]cyclohexanecarbonyl]amino]butanoic acid
CID 7741818
6-chloro-3-[2-hydroxy-3-(oxan-4-yloxy)propyl]-1,2,3-benzotriazin-4-one
CID 167861463
4-(7-chloro-4-oxo-1,2,3-benzotriazin-3-yl)-2-[4-(4-chlorophenyl)-N-methylsulfonylanilino]butanoic acid
CID 56949181
3-[[4-(2-phenylmorpholine-4-carbonyl)cyclohexyl]methyl]-1,2,3-benzotriazin-4-one
CID 42653631

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).