1-methyl-4,10-dihydro-[1,2,4]triazolo[3,4-c][1,4]benzoxazepine

C11H11N3O — CID 164690562

IUPAC1-methyl-4,10-dihydro-[1,2,4]triazolo[3,4-c][1,4]benzoxazepine
SMILESCc1nnc2n1Cc1ccccc1OC2
InChIInChI=1S/C11H11N3O/c1-8-12-13-11-7-15-10-5-3-2-4-9(10)6-14(8)11/h2-5H,6-7H2,1H3
InChIKeyXNWYSKJYEWYFIB-UHFFFAOYSA-N
MW201.23 g/mol
LogP1.53
Rot. Bonds

About 1-methyl-4,10-dihydro-[1,2,4]triazolo[3,4-c][1,4]benzoxazepine

1-methyl-4,10-dihydro-[1,2,4]triazolo[3,4-c][1,4]benzoxazepine (PubChem CID 164690562) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is 1-methyl-4,10-dihydro-[1,2,4]triazolo[3,4-c][1,4]benzoxazepine.

Molecular Properties

Compound Name1-methyl-4,10-dihydro-[1,2,4]triazolo[3,4-c][1,4]benzoxazepine
PubChem CID164690562
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC Name1-methyl-4,10-dihydro-[1,2,4]triazolo[3,4-c][1,4]benzoxazepine
SMILESCc1nnc2n1Cc1ccccc1OC2
InChIInChI=1S/C11H11N3O/c1-8-12-13-11-7-15-10-5-3-2-4-9(10)6-14(8)11/h2-5H,6-7H2,1H3
InChIKeyXNWYSKJYEWYFIB-UHFFFAOYSA-N
XLogP1.53
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-methylimidazol-2-yl)-4,10-dihydro-[1,2,4]triazolo[3,4-c][1,4]benzoxazepine
CID 138377665
1-(3-methyl-1,2-oxazol-5-yl)-4,10-dihydro-[1,2,4]triazolo[3,4-c][1,4]benzoxazepine
CID 138383072
1-(1,3-oxazol-5-yl)-4,10-dihydro-[1,2,4]triazolo[3,4-c][1,4]benzoxazepine
CID 138381403
1-methyl-5,10-dihydro-4H-[1,2,4]triazolo[4,3-b][2]benzazepine
CID 157014235
1-(3,4,5-trimethoxyphenyl)-4,10-dihydro-[1,2,4]triazolo[3,4-c][1,4]benzoxazepine
CID 155910154
1-[(2S)-pyrrolidin-2-yl]-4,10-dihydro-[1,2,4]triazolo[3,4-c][1,4]benzoxazepine
CID 138379011
2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-1-[(5S)-3,5-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone
CID 97437450
3-(2,4-dihydro-1,3-benzoxazin-3-ylmethyl)-2,4-dihydro-1,3-benzoxazine;ethane
CID 162155104
2,3-dihydro-1-benzofuran;ethane
CID 54441538
1-propyl-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine
CID 24847216
2-sulfanyl-3H-1,2-benzoxazole
CID 19388214
bromomethane;2,3-dihydro-1-benzofuran
CID 69259048

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4,10-dihydro-[1,2,4]triazolo[3,4-c][1,4]benzoxazepine?
The IUPAC name of 1-methyl-4,10-dihydro-[1,2,4]triazolo[3,4-c][1,4]benzoxazepine (CID 164690562) is 1-methyl-4,10-dihydro-[1,2,4]triazolo[3,4-c][1,4]benzoxazepine.
What is the SMILES notation for 1-methyl-4,10-dihydro-[1,2,4]triazolo[3,4-c][1,4]benzoxazepine?
The canonical SMILES for 1-methyl-4,10-dihydro-[1,2,4]triazolo[3,4-c][1,4]benzoxazepine is Cc1nnc2n1Cc1ccccc1OC2.
What is the InChIKey of 1-methyl-4,10-dihydro-[1,2,4]triazolo[3,4-c][1,4]benzoxazepine?
The InChIKey is XNWYSKJYEWYFIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O/c1-8-12-13-11-7-15-10-5-3-2-4-9(10)6-14(8)11/h2-5H,6-7H2,1H3.
What are the key properties of 1-methyl-4,10-dihydro-[1,2,4]triazolo[3,4-c][1,4]benzoxazepine?
1-methyl-4,10-dihydro-[1,2,4]triazolo[3,4-c][1,4]benzoxazepine has a molecular weight of 201.23 g/mol, XLogP of 1.53, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4,10-dihydro-[1,2,4]triazolo[3,4-c][1,4]benzoxazepine is sourced from PubChem (CID 164690562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).