3-amino-7-chloro-1,2,3-benzotriazin-4-one

C7H5ClN4O — CID 171985660

IUPAC3-amino-7-chloro-1,2,3-benzotriazin-4-one
SMILESNn1nnc2cc(Cl)ccc2c1=O
InChIInChI=1S/C7H5ClN4O/c8-4-1-2-5-6(3-4)10-11-12(9)7(5)13/h1-3H,9H2
InChIKeyWPKJTVWRDWJKKB-UHFFFAOYSA-N
MW196.60 g/mol
LogP0.16
Rot. Bonds

About 3-amino-7-chloro-1,2,3-benzotriazin-4-one

3-amino-7-chloro-1,2,3-benzotriazin-4-one (PubChem CID 171985660) has the molecular formula C7H5ClN4O and a molecular weight of 196.60 g/mol. Its IUPAC name is 3-amino-7-chloro-1,2,3-benzotriazin-4-one.

Molecular Properties

Compound Name3-amino-7-chloro-1,2,3-benzotriazin-4-one
PubChem CID171985660
Molecular FormulaC7H5ClN4O
Molecular Weight196.60 g/mol
Exact Mass196.02
IUPAC Name3-amino-7-chloro-1,2,3-benzotriazin-4-one
SMILESNn1nnc2cc(Cl)ccc2c1=O
InChIInChI=1S/C7H5ClN4O/c8-4-1-2-5-6(3-4)10-11-12(9)7(5)13/h1-3H,9H2
InChIKeyWPKJTVWRDWJKKB-UHFFFAOYSA-N
XLogP0.16
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.60
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-chloro-3-(cyclopropylmethyl)-1,2,3-benzotriazin-4-one
CID 167767911
3-amino-7-chloroquinazolin-4-one
CID 82275274
7-chloro-3-[1-(thiadiazol-4-yl)ethyl]-1,2,3-benzotriazin-4-one
CID 167955846
3-(2-aminoethyl)-7-chloroquinazolin-4-one;hydrochloride
CID 45371352
6-chloro-3-(chloromethyl)-1,2,3-benzotriazin-4-one
CID 606627
3-amino-2-benzyl-7-chloroquinazolin-4-one
CID 6488202
7-chlorocinnolin-4-amine
CID 10511562
2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide
CID 2488402
3-amino-7-chloro-2-(pyridin-4-ylmethylsulfanyl)quinazolin-4-one
CID 53366653
7-chloro-3-(4-methylphenyl)quinazolin-4-one
CID 11334739
(6S)-6-bromo-3-chloro-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-11-one
CID 95757248
3-amino-7-chloro-2-[(2-chlorophenyl)methylsulfanyl]quinazolin-4-one
CID 53490303

Frequently Asked Questions

What is the IUPAC name of 3-amino-7-chloro-1,2,3-benzotriazin-4-one?
The IUPAC name of 3-amino-7-chloro-1,2,3-benzotriazin-4-one (CID 171985660) is 3-amino-7-chloro-1,2,3-benzotriazin-4-one.
What is the SMILES notation for 3-amino-7-chloro-1,2,3-benzotriazin-4-one?
The canonical SMILES for 3-amino-7-chloro-1,2,3-benzotriazin-4-one is Nn1nnc2cc(Cl)ccc2c1=O.
What is the InChIKey of 3-amino-7-chloro-1,2,3-benzotriazin-4-one?
The InChIKey is WPKJTVWRDWJKKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClN4O/c8-4-1-2-5-6(3-4)10-11-12(9)7(5)13/h1-3H,9H2.
What are the key properties of 3-amino-7-chloro-1,2,3-benzotriazin-4-one?
3-amino-7-chloro-1,2,3-benzotriazin-4-one has a molecular weight of 196.60 g/mol, XLogP of 0.16, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-7-chloro-1,2,3-benzotriazin-4-one is sourced from PubChem (CID 171985660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).