2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-3,4-dihydro-2H-1,4-benzoxazine

C13H16N4O2 — CID 62709366

IUPAC2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-3,4-dihydro-2H-1,4-benzoxazine
SMILESCOCCn1cnnc1C1CNc2ccccc2O1
InChIInChI=1S/C13H16N4O2/c1-18-7-6-17-9-15-16-13(17)12-8-14-10-4-2-3-5-11(10)19-12/h2-5,9,12,14H,6-8H2,1H3
InChIKeyYGDSVTMCUWYBCZ-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.47
Rot. Bonds4

About 2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-3,4-dihydro-2H-1,4-benzoxazine

2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-3,4-dihydro-2H-1,4-benzoxazine (PubChem CID 62709366) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-3,4-dihydro-2H-1,4-benzoxazine.

Molecular Properties

Compound Name2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-3,4-dihydro-2H-1,4-benzoxazine
PubChem CID62709366
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-3,4-dihydro-2H-1,4-benzoxazine
SMILESCOCCn1cnnc1C1CNc2ccccc2O1
InChIInChI=1S/C13H16N4O2/c1-18-7-6-17-9-15-16-13(17)12-8-14-10-4-2-3-5-11(10)19-12/h2-5,9,12,14H,6-8H2,1H3
InChIKeyYGDSVTMCUWYBCZ-UHFFFAOYSA-N
XLogP1.47
TPSA61.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-3,4-dihydro-2H-1,4-benzoxazine?
The IUPAC name of 2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-3,4-dihydro-2H-1,4-benzoxazine (CID 62709366) is 2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-3,4-dihydro-2H-1,4-benzoxazine.
What is the SMILES notation for 2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-3,4-dihydro-2H-1,4-benzoxazine?
The canonical SMILES for 2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-3,4-dihydro-2H-1,4-benzoxazine is COCCn1cnnc1C1CNc2ccccc2O1.
What is the InChIKey of 2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-3,4-dihydro-2H-1,4-benzoxazine?
The InChIKey is YGDSVTMCUWYBCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-18-7-6-17-9-15-16-13(17)12-8-14-10-4-2-3-5-11(10)19-12/h2-5,9,12,14H,6-8H2,1H3.
What are the key properties of 2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-3,4-dihydro-2H-1,4-benzoxazine?
2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-3,4-dihydro-2H-1,4-benzoxazine has a molecular weight of 260.30 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-3,4-dihydro-2H-1,4-benzoxazine is sourced from PubChem (CID 62709366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).