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

C12H13N3O — CID 24847211

IUPAC1-propan-2-yl-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine
SMILESCC(C)c1nnc2n1-c1ccccc1OC2
InChIInChI=1S/C12H13N3O/c1-8(2)12-14-13-11-7-16-10-6-4-3-5-9(10)15(11)12/h3-6,8H,7H2,1-2H3
InChIKeyFEMHZFSNVOEVPP-UHFFFAOYSA-N
MW215.26 g/mol
LogP2.28
Rot. Bonds1

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

1-propan-2-yl-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine (PubChem CID 24847211) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 1-propan-2-yl-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine.

Molecular Properties

Compound Name1-propan-2-yl-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine
PubChem CID24847211
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name1-propan-2-yl-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine
SMILESCC(C)c1nnc2n1-c1ccccc1OC2
InChIInChI=1S/C12H13N3O/c1-8(2)12-14-13-11-7-16-10-6-4-3-5-9(10)15(11)12/h3-6,8H,7H2,1-2H3
InChIKeyFEMHZFSNVOEVPP-UHFFFAOYSA-N
XLogP2.28
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 52.28
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-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
4H-(1,2,4)Triazolo(3,4-c)(1,4)benzoxazine, 1-ethyl-
CID 24847209

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine?
The IUPAC name of 1-propan-2-yl-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine (CID 24847211) is 1-propan-2-yl-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine.
What is the SMILES notation for 1-propan-2-yl-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine?
The canonical SMILES for 1-propan-2-yl-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine is CC(C)c1nnc2n1-c1ccccc1OC2.
What is the InChIKey of 1-propan-2-yl-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine?
The InChIKey is FEMHZFSNVOEVPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-8(2)12-14-13-11-7-16-10-6-4-3-5-9(10)15(11)12/h3-6,8H,7H2,1-2H3.
What are the key properties of 1-propan-2-yl-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine?
1-propan-2-yl-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine has a molecular weight of 215.26 g/mol, XLogP of 2.28, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine is sourced from PubChem (CID 24847211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).