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

C14H17N5O3 — CID 118743015

IUPAC2-methoxy-N-[(3-pyridin-4-yl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]acetamide
SMILESCOCC(=O)NCC1Cn2nnc(-c3ccncc3)c2CO1
InChIInChI=1S/C14H17N5O3/c1-21-9-13(20)16-6-11-7-19-12(8-22-11)14(17-18-19)10-2-4-15-5-3-10/h2-5,11H,6-9H2,1H3,(H,16,20)
InChIKeyZFBJBXULDVFDPG-UHFFFAOYSA-N
MW303.32 g/mol
LogP0.00
Rot. Bonds5

About 2-methoxy-N-[(3-pyridin-4-yl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]acetamide

2-methoxy-N-[(3-pyridin-4-yl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]acetamide (PubChem CID 118743015) has the molecular formula C14H17N5O3 and a molecular weight of 303.32 g/mol. Its IUPAC name is 2-methoxy-N-[(3-pyridin-4-yl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-[(3-pyridin-4-yl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]acetamide
PubChem CID118743015
Molecular FormulaC14H17N5O3
Molecular Weight303.32 g/mol
Exact Mass303.13
IUPAC Name2-methoxy-N-[(3-pyridin-4-yl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]acetamide
SMILESCOCC(=O)NCC1Cn2nnc(-c3ccncc3)c2CO1
InChIInChI=1S/C14H17N5O3/c1-21-9-13(20)16-6-11-7-19-12(8-22-11)14(17-18-19)10-2-4-15-5-3-10/h2-5,11H,6-9H2,1H3,(H,16,20)
InChIKeyZFBJBXULDVFDPG-UHFFFAOYSA-N
XLogP0.00
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(3-methyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)-N-(pyridin-4-ylmethyl)methanamine
CID 118739033
1-(3-phenyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)-N-(pyridin-2-ylmethyl)methanamine
CID 118739036
1-(6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)-N-(pyridin-2-ylmethyl)methanamine
CID 118739037
1-(oxan-4-yl)-N-[(3-pyridin-4-yl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]methanamine
CID 118739123
1-(6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)-N-(pyridin-4-ylmethyl)methanamine
CID 118739128
2-ethoxy-N-[[3-(3-fluorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]acetamide
CID 118739442
N-[(3-pyridin-4-yl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]-1H-pyrrole-2-carboxamide
CID 118741070
1-[3-(1-methylpyrazol-4-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]-N-(pyridin-2-ylmethyl)methanamine
CID 118741116
1-[3-(1-methylpyrazol-4-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]-N-(pyridin-4-ylmethyl)methanamine
CID 118741120
1-[3-(1-methylpyrazol-4-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]-N-(pyridin-3-ylmethyl)methanamine
CID 118741125
1-(3-methyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)-N-(pyridin-2-ylmethyl)methanamine
CID 118742814
2-ethoxy-1-[1-methyl-7-(pyridin-2-ylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]ethanone
CID 118743588

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(3-pyridin-4-yl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]acetamide?
The IUPAC name of 2-methoxy-N-[(3-pyridin-4-yl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]acetamide (CID 118743015) is 2-methoxy-N-[(3-pyridin-4-yl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]acetamide.
What is the SMILES notation for 2-methoxy-N-[(3-pyridin-4-yl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]acetamide?
The canonical SMILES for 2-methoxy-N-[(3-pyridin-4-yl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]acetamide is COCC(=O)NCC1Cn2nnc(-c3ccncc3)c2CO1.
What is the InChIKey of 2-methoxy-N-[(3-pyridin-4-yl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]acetamide?
The InChIKey is ZFBJBXULDVFDPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O3/c1-21-9-13(20)16-6-11-7-19-12(8-22-11)14(17-18-19)10-2-4-15-5-3-10/h2-5,11H,6-9H2,1H3,(H,16,20).
What are the key properties of 2-methoxy-N-[(3-pyridin-4-yl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]acetamide?
2-methoxy-N-[(3-pyridin-4-yl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]acetamide has a molecular weight of 303.32 g/mol, XLogP of 0.00, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(3-pyridin-4-yl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]acetamide is sourced from PubChem (CID 118743015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).