1-ethyl-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine

C11H11N3O — CID 24847209

IUPAC1-ethyl-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine
SMILESCCc1nnc2n1-c1ccccc1OC2
InChIInChI=1S/C11H11N3O/c1-2-10-12-13-11-7-15-9-6-4-3-5-8(9)14(10)11/h3-6H,2,7H2,1H3
InChIKeyFRHVPADGCVWGTN-UHFFFAOYSA-N
MW201.23 g/mol
LogP1.72
Rot. Bonds1

About 1-ethyl-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine

1-ethyl-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine (PubChem CID 24847209) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is 1-ethyl-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine.

Molecular Properties

Compound Name1-ethyl-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine
PubChem CID24847209
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC Name1-ethyl-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine
SMILESCCc1nnc2n1-c1ccccc1OC2
InChIInChI=1S/C11H11N3O/c1-2-10-12-13-11-7-15-9-6-4-3-5-8(9)14(10)11/h3-6H,2,7H2,1H3
InChIKeyFRHVPADGCVWGTN-UHFFFAOYSA-N
XLogP1.72
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[4-(3,5-Dimethyl-1,2,4-triazol-4-yl)phenoxy]propyl]piperidine
CID 90654501
4H-(1,2,4)Triazolo(3,4-c)(1,4)benzoxazine, 1-(4-methoxyphenyl)-
CID 22333258
4H-(1,2,4)Triazolo(3,4-c)(1,4)benzoxazine-1-carboxamide
CID 14406025
4H-(1,2,4)Triazolo(3,4-c)(1,4)benzoxazine, 1-methyl-
CID 14406027
4H-[1,2,4]Triazolo[3,4-c][1,4]benzoxazine
CID 24847205
3-Ethylsulfanyl-5-(phenoxymethyl)-4-phenyl-1,2,4-triazole
CID 865869
3-Isopropylsulfanyl-5-phenoxymethyl-4-phenyl-4H-[1,2,4]triazole
CID 865870
3-Cyclopentyloxy-5-(phenoxymethyl)-4-phenyl-1,2,4-triazole
CID 71521028
3-Cyclohexyloxy-5-(phenoxymethyl)-4-phenyl-1,2,4-triazole
CID 71521029
3-(Cyclopentylmethyl)-5-(phenoxymethyl)-4-phenyl-1,2,4-triazole
CID 71521621
3-(Cyclohexylmethyl)-5-(phenoxymethyl)-4-phenyl-1,2,4-triazole
CID 71521622
2-ethoxy-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)aniline
CID 7177812

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine?
The IUPAC name of 1-ethyl-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine (CID 24847209) is 1-ethyl-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine.
What is the SMILES notation for 1-ethyl-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine?
The canonical SMILES for 1-ethyl-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine is CCc1nnc2n1-c1ccccc1OC2.
What is the InChIKey of 1-ethyl-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine?
The InChIKey is FRHVPADGCVWGTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O/c1-2-10-12-13-11-7-15-9-6-4-3-5-8(9)14(10)11/h3-6H,2,7H2,1H3.
What are the key properties of 1-ethyl-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine?
1-ethyl-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine has a molecular weight of 201.23 g/mol, XLogP of 1.72, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine is sourced from PubChem (CID 24847209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).