2-methoxy-N-[[3-(2-methylpyrazol-3-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]acetamide

C13H18N6O3 — CID 134073787

IUPAC2-methoxy-N-[[3-(2-methylpyrazol-3-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]acetamide
SMILESCOCC(=O)NCC1Cn2nnc(-c3ccnn3C)c2CO1
InChIInChI=1S/C13H18N6O3/c1-18-10(3-4-15-18)13-11-7-22-9(6-19(11)17-16-13)5-14-12(20)8-21-2/h3-4,9H,5-8H2,1-2H3,(H,14,20)
InChIKeyGCCMAJNTAHITRX-UHFFFAOYSA-N
MW306.33 g/mol
LogP-0.66
Rot. Bonds5

About 2-methoxy-N-[[3-(2-methylpyrazol-3-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]acetamide

2-methoxy-N-[[3-(2-methylpyrazol-3-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]acetamide (PubChem CID 134073787) has the molecular formula C13H18N6O3 and a molecular weight of 306.33 g/mol. Its IUPAC name is 2-methoxy-N-[[3-(2-methylpyrazol-3-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-[[3-(2-methylpyrazol-3-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]acetamide
PubChem CID134073787
Molecular FormulaC13H18N6O3
Molecular Weight306.33 g/mol
Exact Mass306.14
IUPAC Name2-methoxy-N-[[3-(2-methylpyrazol-3-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]acetamide
SMILESCOCC(=O)NCC1Cn2nnc(-c3ccnn3C)c2CO1
InChIInChI=1S/C13H18N6O3/c1-18-10(3-4-15-18)13-11-7-22-9(6-19(11)17-16-13)5-14-12(20)8-21-2/h3-4,9H,5-8H2,1-2H3,(H,14,20)
InChIKeyGCCMAJNTAHITRX-UHFFFAOYSA-N
XLogP-0.66
TPSA96.09 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 5-0.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[3-(2-methylpyrazol-3-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]acetamide?
The IUPAC name of 2-methoxy-N-[[3-(2-methylpyrazol-3-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]acetamide (CID 134073787) is 2-methoxy-N-[[3-(2-methylpyrazol-3-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]acetamide.
What is the SMILES notation for 2-methoxy-N-[[3-(2-methylpyrazol-3-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]acetamide?
The canonical SMILES for 2-methoxy-N-[[3-(2-methylpyrazol-3-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]acetamide is COCC(=O)NCC1Cn2nnc(-c3ccnn3C)c2CO1.
What is the InChIKey of 2-methoxy-N-[[3-(2-methylpyrazol-3-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]acetamide?
The InChIKey is GCCMAJNTAHITRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O3/c1-18-10(3-4-15-18)13-11-7-22-9(6-19(11)17-16-13)5-14-12(20)8-21-2/h3-4,9H,5-8H2,1-2H3,(H,14,20).
What are the key properties of 2-methoxy-N-[[3-(2-methylpyrazol-3-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]acetamide?
2-methoxy-N-[[3-(2-methylpyrazol-3-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]acetamide has a molecular weight of 306.33 g/mol, XLogP of -0.66, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[3-(2-methylpyrazol-3-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]acetamide is sourced from PubChem (CID 134073787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).