3-(2H-triazol-4-yl)-2H-1,2-benzoxazine

C10H8N4O — CID 67901452

IUPAC3-(2H-triazol-4-yl)-2H-1,2-benzoxazine
SMILESC1=C(c2cn[nH]n2)NOc2ccccc21
InChIInChI=1S/C10H8N4O/c1-2-4-10-7(3-1)5-8(13-15-10)9-6-11-14-12-9/h1-6,13H,(H,11,12,14)
InChIKeyPZXGULIBCYSVPE-UHFFFAOYSA-N
MW200.20 g/mol
LogP1.20
Rot. Bonds1

About 3-(2H-triazol-4-yl)-2H-1,2-benzoxazine

3-(2H-triazol-4-yl)-2H-1,2-benzoxazine (PubChem CID 67901452) has the molecular formula C10H8N4O and a molecular weight of 200.20 g/mol. Its IUPAC name is 3-(2H-triazol-4-yl)-2H-1,2-benzoxazine.

Molecular Properties

Compound Name3-(2H-triazol-4-yl)-2H-1,2-benzoxazine
PubChem CID67901452
Molecular FormulaC10H8N4O
Molecular Weight200.20 g/mol
Exact Mass200.07
IUPAC Name3-(2H-triazol-4-yl)-2H-1,2-benzoxazine
SMILESC1=C(c2cn[nH]n2)NOc2ccccc21
InChIInChI=1S/C10H8N4O/c1-2-4-10-7(3-1)5-8(13-15-10)9-6-11-14-12-9/h1-6,13H,(H,11,12,14)
InChIKeyPZXGULIBCYSVPE-UHFFFAOYSA-N
XLogP1.20
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.20
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-pyrimidin-2-yl-2H-1,2-benzoxazine
CID 171618838
2H-1,2-benzoxazin-3-yl(trimethyl)silane
CID 175984014
2H-1,2-benzoxazin-3-ol
CID 22992156
3-ethyl-2H-1,2-benzoxazine
CID 118169184
2-(2H-1,2-benzoxazin-3-yl)ethanol
CID 141451515
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2H-triazole
CID 147188821
2H-1,2-benzoxazine-3-carboxylic acid
CID 19106824
3-(2H-1,2-benzoxazin-3-yl)prop-1-en-1-ol
CID 174415475
2-(2H-triazol-4-yl)benzaldehyde
CID 23332019
2-(2H-triazol-4-yl)aniline
CID 19702149
4-(2H-triazol-4-yl)benzoic acid
CID 58971816
2-(2H-chromen-3-yl)pyridine
CID 10859833

Frequently Asked Questions

What is the IUPAC name of 3-(2H-triazol-4-yl)-2H-1,2-benzoxazine?
The IUPAC name of 3-(2H-triazol-4-yl)-2H-1,2-benzoxazine (CID 67901452) is 3-(2H-triazol-4-yl)-2H-1,2-benzoxazine.
What is the SMILES notation for 3-(2H-triazol-4-yl)-2H-1,2-benzoxazine?
The canonical SMILES for 3-(2H-triazol-4-yl)-2H-1,2-benzoxazine is C1=C(c2cn[nH]n2)NOc2ccccc21.
What is the InChIKey of 3-(2H-triazol-4-yl)-2H-1,2-benzoxazine?
The InChIKey is PZXGULIBCYSVPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4O/c1-2-4-10-7(3-1)5-8(13-15-10)9-6-11-14-12-9/h1-6,13H,(H,11,12,14).
What are the key properties of 3-(2H-triazol-4-yl)-2H-1,2-benzoxazine?
3-(2H-triazol-4-yl)-2H-1,2-benzoxazine has a molecular weight of 200.20 g/mol, XLogP of 1.20, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2H-triazol-4-yl)-2H-1,2-benzoxazine is sourced from PubChem (CID 67901452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).