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

C17H20N6O — CID 118741232

IUPACN-[(1-methylpyrazol-4-yl)methyl]-1-(3-phenyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methanamine
SMILESCn1cc(CNCC2Cn3nnc(-c4ccccc4)c3CO2)cn1
InChIInChI=1S/C17H20N6O/c1-22-10-13(8-19-22)7-18-9-15-11-23-16(12-24-15)17(20-21-23)14-5-3-2-4-6-14/h2-6,8,10,15,18H,7,9,11-12H2,1H3
InChIKeyGZBCZIMXCMWCDI-UHFFFAOYSA-N
MW324.39 g/mol
LogP1.37
Rot. Bonds5

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

N-[(1-methylpyrazol-4-yl)methyl]-1-(3-phenyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methanamine (PubChem CID 118741232) has the molecular formula C17H20N6O and a molecular weight of 324.39 g/mol. Its IUPAC name is N-[(1-methylpyrazol-4-yl)methyl]-1-(3-phenyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methanamine.

Molecular Properties

Compound NameN-[(1-methylpyrazol-4-yl)methyl]-1-(3-phenyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methanamine
PubChem CID118741232
Molecular FormulaC17H20N6O
Molecular Weight324.39 g/mol
Exact Mass324.17
IUPAC NameN-[(1-methylpyrazol-4-yl)methyl]-1-(3-phenyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methanamine
SMILESCn1cc(CNCC2Cn3nnc(-c4ccccc4)c3CO2)cn1
InChIInChI=1S/C17H20N6O/c1-22-10-13(8-19-22)7-18-9-15-11-23-16(12-24-15)17(20-21-23)14-5-3-2-4-6-14/h2-6,8,10,15,18H,7,9,11-12H2,1H3
InChIKeyGZBCZIMXCMWCDI-UHFFFAOYSA-N
XLogP1.37
TPSA69.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrazol-4-yl)methyl]-1-(3-phenyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methanamine?
The IUPAC name of N-[(1-methylpyrazol-4-yl)methyl]-1-(3-phenyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methanamine (CID 118741232) is N-[(1-methylpyrazol-4-yl)methyl]-1-(3-phenyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methanamine.
What is the SMILES notation for N-[(1-methylpyrazol-4-yl)methyl]-1-(3-phenyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methanamine?
The canonical SMILES for N-[(1-methylpyrazol-4-yl)methyl]-1-(3-phenyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methanamine is Cn1cc(CNCC2Cn3nnc(-c4ccccc4)c3CO2)cn1.
What is the InChIKey of N-[(1-methylpyrazol-4-yl)methyl]-1-(3-phenyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methanamine?
The InChIKey is GZBCZIMXCMWCDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O/c1-22-10-13(8-19-22)7-18-9-15-11-23-16(12-24-15)17(20-21-23)14-5-3-2-4-6-14/h2-6,8,10,15,18H,7,9,11-12H2,1H3.
What are the key properties of N-[(1-methylpyrazol-4-yl)methyl]-1-(3-phenyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methanamine?
N-[(1-methylpyrazol-4-yl)methyl]-1-(3-phenyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methanamine has a molecular weight of 324.39 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrazol-4-yl)methyl]-1-(3-phenyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methanamine is sourced from PubChem (CID 118741232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).