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

C13H17N5O — CID 118739033

IUPAC1-(3-methyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)-N-(pyridin-4-ylmethyl)methanamine
SMILESCc1nnn2c1COC(CNCc1ccncc1)C2
InChIInChI=1S/C13H17N5O/c1-10-13-9-19-12(8-18(13)17-16-10)7-15-6-11-2-4-14-5-3-11/h2-5,12,15H,6-9H2,1H3
InChIKeyZZCITCQBXFRGDB-UHFFFAOYSA-N
MW259.31 g/mol
LogP0.67
Rot. Bonds4

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

1-(3-methyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)-N-(pyridin-4-ylmethyl)methanamine (PubChem CID 118739033) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 1-(3-methyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)-N-(pyridin-4-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(3-methyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)-N-(pyridin-4-ylmethyl)methanamine
PubChem CID118739033
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name1-(3-methyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)-N-(pyridin-4-ylmethyl)methanamine
SMILESCc1nnn2c1COC(CNCc1ccncc1)C2
InChIInChI=1S/C13H17N5O/c1-10-13-9-19-12(8-18(13)17-16-10)7-15-6-11-2-4-14-5-3-11/h2-5,12,15H,6-9H2,1H3
InChIKeyZZCITCQBXFRGDB-UHFFFAOYSA-N
XLogP0.67
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)-N-(pyridin-4-ylmethyl)methanamine?
The IUPAC name of 1-(3-methyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)-N-(pyridin-4-ylmethyl)methanamine (CID 118739033) is 1-(3-methyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)-N-(pyridin-4-ylmethyl)methanamine.
What is the SMILES notation for 1-(3-methyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)-N-(pyridin-4-ylmethyl)methanamine?
The canonical SMILES for 1-(3-methyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)-N-(pyridin-4-ylmethyl)methanamine is Cc1nnn2c1COC(CNCc1ccncc1)C2.
What is the InChIKey of 1-(3-methyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)-N-(pyridin-4-ylmethyl)methanamine?
The InChIKey is ZZCITCQBXFRGDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-10-13-9-19-12(8-18(13)17-16-10)7-15-6-11-2-4-14-5-3-11/h2-5,12,15H,6-9H2,1H3.
What are the key properties of 1-(3-methyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)-N-(pyridin-4-ylmethyl)methanamine?
1-(3-methyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)-N-(pyridin-4-ylmethyl)methanamine has a molecular weight of 259.31 g/mol, XLogP of 0.67, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)-N-(pyridin-4-ylmethyl)methanamine is sourced from PubChem (CID 118739033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).