5-(3-chloro-1,2,4-triazin-6-yl)-3-methyl-1,3-benzoxazol-2-one

C11H7ClN4O2 — CID 169260365

IUPAC5-(3-chloro-1,2,4-triazin-6-yl)-3-methyl-1,3-benzoxazol-2-one
SMILESCn1c(=O)oc2ccc(-c3cnc(Cl)nn3)cc21
InChIInChI=1S/C11H7ClN4O2/c1-16-8-4-6(2-3-9(8)18-11(16)17)7-5-13-10(12)15-14-7/h2-5H,1H3
InChIKeyDNYAPGZGSUSHEL-UHFFFAOYSA-N
MW262.66 g/mol
LogP1.64
Rot. Bonds1

About 5-(3-chloro-1,2,4-triazin-6-yl)-3-methyl-1,3-benzoxazol-2-one

5-(3-chloro-1,2,4-triazin-6-yl)-3-methyl-1,3-benzoxazol-2-one (PubChem CID 169260365) has the molecular formula C11H7ClN4O2 and a molecular weight of 262.66 g/mol. Its IUPAC name is 5-(3-chloro-1,2,4-triazin-6-yl)-3-methyl-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name5-(3-chloro-1,2,4-triazin-6-yl)-3-methyl-1,3-benzoxazol-2-one
PubChem CID169260365
Molecular FormulaC11H7ClN4O2
Molecular Weight262.66 g/mol
Exact Mass262.03
IUPAC Name5-(3-chloro-1,2,4-triazin-6-yl)-3-methyl-1,3-benzoxazol-2-one
SMILESCn1c(=O)oc2ccc(-c3cnc(Cl)nn3)cc21
InChIInChI=1S/C11H7ClN4O2/c1-16-8-4-6(2-3-9(8)18-11(16)17)7-5-13-10(12)15-14-7/h2-5H,1H3
InChIKeyDNYAPGZGSUSHEL-UHFFFAOYSA-N
XLogP1.64
TPSA73.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.66
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-(3-chloro-1,2,4-triazin-6-yl)-3-methyl-1,3-benzoxazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[3-[1-(4-fluorophenyl)ethylamino]-1,2,4-triazin-6-yl]-3-methyl-1,3-benzoxazol-2-one
CID 170311239
3-methyl-5-(4-methylphenyl)-1,3-benzoxazol-2-one
CID 134527822
3-methyl-5-(2-oxo-1,3-dihydroimidazol-4-yl)-1,3-benzoxazol-2-one
CID 116879745
5-(3-chloropropyl)-3-methyl-1,3-benzoxazol-2-one
CID 116926676
3,5-dimethyl-1,3-benzoxazol-2-one
CID 13117589
5-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)furan-2-carbaldehyde
CID 169332554
3,5-dimethyl-1,3-benzoxazol-2-one;methane
CID 160664134
6-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)pyrimidine-4-carbaldehyde
CID 116857786
5-[5-[[[(2S)-2-hydroxy-2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)ethyl]-methylamino]methyl]-2-pyridinyl]-3-methyl-1,3-benzoxazol-2-one
CID 155883754
5,6-dichloro-3-methyl-1,3-benzoxazol-2-one
CID 82184528
3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide
CID 82491054
5-(dimethylamino)-3-methyl-1,3-benzoxazol-2-one
CID 117043635

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-1,2,4-triazin-6-yl)-3-methyl-1,3-benzoxazol-2-one?
The IUPAC name of 5-(3-chloro-1,2,4-triazin-6-yl)-3-methyl-1,3-benzoxazol-2-one (CID 169260365) is 5-(3-chloro-1,2,4-triazin-6-yl)-3-methyl-1,3-benzoxazol-2-one.
What is the SMILES notation for 5-(3-chloro-1,2,4-triazin-6-yl)-3-methyl-1,3-benzoxazol-2-one?
The canonical SMILES for 5-(3-chloro-1,2,4-triazin-6-yl)-3-methyl-1,3-benzoxazol-2-one is Cn1c(=O)oc2ccc(-c3cnc(Cl)nn3)cc21.
What is the InChIKey of 5-(3-chloro-1,2,4-triazin-6-yl)-3-methyl-1,3-benzoxazol-2-one?
The InChIKey is DNYAPGZGSUSHEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClN4O2/c1-16-8-4-6(2-3-9(8)18-11(16)17)7-5-13-10(12)15-14-7/h2-5H,1H3.
What are the key properties of 5-(3-chloro-1,2,4-triazin-6-yl)-3-methyl-1,3-benzoxazol-2-one?
5-(3-chloro-1,2,4-triazin-6-yl)-3-methyl-1,3-benzoxazol-2-one has a molecular weight of 262.66 g/mol, XLogP of 1.64, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-1,2,4-triazin-6-yl)-3-methyl-1,3-benzoxazol-2-one is sourced from PubChem (CID 169260365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).