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

C10H9N3O — CID 14406027

IUPAC1-methyl-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine
SMILESCc1nnc2n1-c1ccccc1OC2
InChIInChI=1S/C10H9N3O/c1-7-11-12-10-6-14-9-5-3-2-4-8(9)13(7)10/h2-5H,6H2,1H3
InChIKeyHXPUKFXPIGCNEQ-UHFFFAOYSA-N
MW187.20 g/mol
LogP1.47
Rot. Bonds

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

1-methyl-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine (PubChem CID 14406027) has the molecular formula C10H9N3O and a molecular weight of 187.20 g/mol. Its IUPAC name is 1-methyl-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine.

Molecular Properties

Compound Name1-methyl-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine
PubChem CID14406027
Molecular FormulaC10H9N3O
Molecular Weight187.20 g/mol
Exact Mass187.07
IUPAC Name1-methyl-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine
SMILESCc1nnc2n1-c1ccccc1OC2
InChIInChI=1S/C10H9N3O/c1-7-11-12-10-6-14-9-5-3-2-4-8(9)13(7)10/h2-5H,6H2,1H3
InChIKeyHXPUKFXPIGCNEQ-UHFFFAOYSA-N
XLogP1.47
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 51.47
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
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
4H-(1,2,4)Triazolo(3,4-c)(1,4)benzoxazine, 1-(4-chlorophenyl)-
CID 24847206
4H-(1,2,4)Triazolo(3,4-c)(1,4)benzoxazine, 1-(4-ethoxyphenyl)-
CID 24847208

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine?
The IUPAC name of 1-methyl-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine (CID 14406027) is 1-methyl-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine.
What is the SMILES notation for 1-methyl-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine?
The canonical SMILES for 1-methyl-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine is Cc1nnc2n1-c1ccccc1OC2.
What is the InChIKey of 1-methyl-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine?
The InChIKey is HXPUKFXPIGCNEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O/c1-7-11-12-10-6-14-9-5-3-2-4-8(9)13(7)10/h2-5H,6H2,1H3.
What are the key properties of 1-methyl-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine?
1-methyl-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine has a molecular weight of 187.20 g/mol, XLogP of 1.47, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine is sourced from PubChem (CID 14406027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).