N-[[3-(3-methylphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]-1H-pyrazole-5-carboxamide

C17H18N6O2 — CID 131683679

About N-[[3-(3-methylphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]-1H-pyrazole-5-carboxamide

N-[[3-(3-methylphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]-1H-pyrazole-5-carboxamide (PubChem CID 131683679) has the molecular formula C17H18N6O2 and a molecular weight of 338.37 g/mol. Its IUPAC name is N-[[3-(3-methylphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[[3-(3-methylphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]-1H-pyrazole-5-carboxamide
• PubChem CID: 131683679
• Molecular Formula: C17H18N6O2
• Molecular Weight: 338.37 g/mol
• Exact Mass: 338.15
• IUPAC Name: N-[[3-(3-methylphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]-1H-pyrazole-5-carboxamide
• SMILES: Cc1cccc(-c2nnn3c2COC(CNC(=O)c2ccn[nH]2)C3)c1
• InChI: InChI=1S/C17H18N6O2/c1-11-3-2-4-12(7-11)16-15-10-25-13(9-23(15)22-21-16)8-18-17(24)14-5-6-19-20-14/h2-7,13H,8-10H2,1H3,(H,18,24)(H,19,20)
• InChIKey: LFEOXLMZWFQLKD-UHFFFAOYSA-N
• XLogP: 1.31
• TPSA: 97.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	338.37
LogP ≤ 5	1.31
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-methylphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]-1H-pyrazole-5-carboxamide?

The IUPAC name of N-[[3-(3-methylphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]-1H-pyrazole-5-carboxamide (CID 131683679) is N-[[3-(3-methylphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]-1H-pyrazole-5-carboxamide.

What is the SMILES notation for N-[[3-(3-methylphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]-1H-pyrazole-5-carboxamide?

The canonical SMILES for N-[[3-(3-methylphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]-1H-pyrazole-5-carboxamide is Cc1cccc(-c2nnn3c2COC(CNC(=O)c2ccn[nH]2)C3)c1.

What is the InChIKey of N-[[3-(3-methylphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]-1H-pyrazole-5-carboxamide?

The InChIKey is LFEOXLMZWFQLKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O2/c1-11-3-2-4-12(7-11)16-15-10-25-13(9-23(15)22-21-16)8-18-17(24)14-5-6-19-20-14/h2-7,13H,8-10H2,1H3,(H,18,24)(H,19,20).

What are the key properties of N-[[3-(3-methylphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]-1H-pyrazole-5-carboxamide?

N-[[3-(3-methylphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]-1H-pyrazole-5-carboxamide has a molecular weight of 338.37 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[3-(3-methylphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 131683679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).