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

C15H16N6OS — CID 118741119

IUPAC1-(3-pyridin-4-yl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine
SMILESc1cc(-c2nnn3c2COC(CNCc2nccs2)C3)ccn1
InChIInChI=1S/C15H16N6OS/c1-3-16-4-2-11(1)15-13-10-22-12(9-21(13)20-19-15)7-17-8-14-18-5-6-23-14/h1-6,12,17H,7-10H2
InChIKeyMDEYWWBPKVHXKL-UHFFFAOYSA-N
MW328.40 g/mol
LogP1.49
Rot. Bonds5

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

1-(3-pyridin-4-yl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine (PubChem CID 118741119) has the molecular formula C15H16N6OS and a molecular weight of 328.40 g/mol. Its IUPAC name is 1-(3-pyridin-4-yl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(3-pyridin-4-yl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine
PubChem CID118741119
Molecular FormulaC15H16N6OS
Molecular Weight328.40 g/mol
Exact Mass328.11
IUPAC Name1-(3-pyridin-4-yl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine
SMILESc1cc(-c2nnn3c2COC(CNCc2nccs2)C3)ccn1
InChIInChI=1S/C15H16N6OS/c1-3-16-4-2-11(1)15-13-10-22-12(9-21(13)20-19-15)7-17-8-14-18-5-6-23-14/h1-6,12,17H,7-10H2
InChIKeyMDEYWWBPKVHXKL-UHFFFAOYSA-N
XLogP1.49
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(3-pyridin-4-yl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine?
The IUPAC name of 1-(3-pyridin-4-yl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine (CID 118741119) is 1-(3-pyridin-4-yl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine.
What is the SMILES notation for 1-(3-pyridin-4-yl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine?
The canonical SMILES for 1-(3-pyridin-4-yl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine is c1cc(-c2nnn3c2COC(CNCc2nccs2)C3)ccn1.
What is the InChIKey of 1-(3-pyridin-4-yl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine?
The InChIKey is MDEYWWBPKVHXKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6OS/c1-3-16-4-2-11(1)15-13-10-22-12(9-21(13)20-19-15)7-17-8-14-18-5-6-23-14/h1-6,12,17H,7-10H2.
What are the key properties of 1-(3-pyridin-4-yl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine?
1-(3-pyridin-4-yl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine has a molecular weight of 328.40 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-pyridin-4-yl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine is sourced from PubChem (CID 118741119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).