1-(3-phenyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)-N-(pyridin-2-ylmethyl)methanamine

C18H19N5O — CID 118739036

IUPAC1-(3-phenyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)-N-(pyridin-2-ylmethyl)methanamine
SMILESc1ccc(-c2nnn3c2COC(CNCc2ccccn2)C3)cc1
InChIInChI=1S/C18H19N5O/c1-2-6-14(7-3-1)18-17-13-24-16(12-23(17)22-21-18)11-19-10-15-8-4-5-9-20-15/h1-9,16,19H,10-13H2
InChIKeyCRJFTSUMCNMPLH-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.03
Rot. Bonds5

About 1-(3-phenyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)-N-(pyridin-2-ylmethyl)methanamine

1-(3-phenyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)-N-(pyridin-2-ylmethyl)methanamine (PubChem CID 118739036) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is 1-(3-phenyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)-N-(pyridin-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(3-phenyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)-N-(pyridin-2-ylmethyl)methanamine
PubChem CID118739036
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name1-(3-phenyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)-N-(pyridin-2-ylmethyl)methanamine
SMILESc1ccc(-c2nnn3c2COC(CNCc2ccccn2)C3)cc1
InChIInChI=1S/C18H19N5O/c1-2-6-14(7-3-1)18-17-13-24-16(12-23(17)22-21-18)11-19-10-15-8-4-5-9-20-15/h1-9,16,19H,10-13H2
InChIKeyCRJFTSUMCNMPLH-UHFFFAOYSA-N
XLogP2.03
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(3-phenyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)-N-(pyridin-2-ylmethyl)methanamine?
The IUPAC name of 1-(3-phenyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)-N-(pyridin-2-ylmethyl)methanamine (CID 118739036) is 1-(3-phenyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)-N-(pyridin-2-ylmethyl)methanamine.
What is the SMILES notation for 1-(3-phenyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)-N-(pyridin-2-ylmethyl)methanamine?
The canonical SMILES for 1-(3-phenyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)-N-(pyridin-2-ylmethyl)methanamine is c1ccc(-c2nnn3c2COC(CNCc2ccccn2)C3)cc1.
What is the InChIKey of 1-(3-phenyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)-N-(pyridin-2-ylmethyl)methanamine?
The InChIKey is CRJFTSUMCNMPLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c1-2-6-14(7-3-1)18-17-13-24-16(12-23(17)22-21-18)11-19-10-15-8-4-5-9-20-15/h1-9,16,19H,10-13H2.
What are the key properties of 1-(3-phenyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)-N-(pyridin-2-ylmethyl)methanamine?
1-(3-phenyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)-N-(pyridin-2-ylmethyl)methanamine has a molecular weight of 321.38 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)-N-(pyridin-2-ylmethyl)methanamine is sourced from PubChem (CID 118739036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).