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

C10H8N4O2 — CID 14406025

IUPAC4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine-1-carboxamide
SMILESNC(=O)c1nnc2n1-c1ccccc1OC2
InChIInChI=1S/C10H8N4O2/c11-9(15)10-13-12-8-5-16-7-4-2-1-3-6(7)14(8)10/h1-4H,5H2,(H2,11,15)
InChIKeyZKXLEOCHYVQMEJ-UHFFFAOYSA-N
MW216.20 g/mol
LogP0.26
Rot. Bonds1

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

4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine-1-carboxamide (PubChem CID 14406025) has the molecular formula C10H8N4O2 and a molecular weight of 216.20 g/mol. Its IUPAC name is 4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine-1-carboxamide.

Molecular Properties

Compound Name4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine-1-carboxamide
PubChem CID14406025
Molecular FormulaC10H8N4O2
Molecular Weight216.20 g/mol
Exact Mass216.06
IUPAC Name4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine-1-carboxamide
SMILESNC(=O)c1nnc2n1-c1ccccc1OC2
InChIInChI=1S/C10H8N4O2/c11-9(15)10-13-12-8-5-16-7-4-2-1-3-6(7)14(8)10/h1-4H,5H2,(H2,11,15)
InChIKeyZKXLEOCHYVQMEJ-UHFFFAOYSA-N
XLogP0.26
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.20
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine-1-carboxamide?
The IUPAC name of 4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine-1-carboxamide (CID 14406025) is 4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine-1-carboxamide.
What is the SMILES notation for 4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine-1-carboxamide?
The canonical SMILES for 4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine-1-carboxamide is NC(=O)c1nnc2n1-c1ccccc1OC2.
What is the InChIKey of 4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine-1-carboxamide?
The InChIKey is ZKXLEOCHYVQMEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4O2/c11-9(15)10-13-12-8-5-16-7-4-2-1-3-6(7)14(8)10/h1-4H,5H2,(H2,11,15).
What are the key properties of 4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine-1-carboxamide?
4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine-1-carboxamide has a molecular weight of 216.20 g/mol, XLogP of 0.26, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine-1-carboxamide is sourced from PubChem (CID 14406025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).