2-(oxan-2-ylmethoxy)-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]acetamide

C15H20N6O3 — CID 86284175

IUPAC2-(oxan-2-ylmethoxy)-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]acetamide
SMILESO=C(COCC1CCCCO1)NCc1nc(-c2cnccn2)n[nH]1
InChIInChI=1S/C15H20N6O3/c22-14(10-23-9-11-3-1-2-6-24-11)18-8-13-19-15(21-20-13)12-7-16-4-5-17-12/h4-5,7,11H,1-3,6,8-10H2,(H,18,22)(H,19,20,21)
InChIKeyXLZZGRWYAFRLKM-UHFFFAOYSA-N
MW332.36 g/mol
LogP0.46
Rot. Bonds7

About 2-(oxan-2-ylmethoxy)-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]acetamide

2-(oxan-2-ylmethoxy)-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]acetamide (PubChem CID 86284175) has the molecular formula C15H20N6O3 and a molecular weight of 332.36 g/mol. Its IUPAC name is 2-(oxan-2-ylmethoxy)-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(oxan-2-ylmethoxy)-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]acetamide
PubChem CID86284175
Molecular FormulaC15H20N6O3
Molecular Weight332.36 g/mol
Exact Mass332.16
IUPAC Name2-(oxan-2-ylmethoxy)-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]acetamide
SMILESO=C(COCC1CCCCO1)NCc1nc(-c2cnccn2)n[nH]1
InChIInChI=1S/C15H20N6O3/c22-14(10-23-9-11-3-1-2-6-24-11)18-8-13-19-15(21-20-13)12-7-16-4-5-17-12/h4-5,7,11H,1-3,6,8-10H2,(H,18,22)(H,19,20,21)
InChIKeyXLZZGRWYAFRLKM-UHFFFAOYSA-N
XLogP0.46
TPSA114.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[(2S)-oxan-2-yl]methoxy]-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]acetamide
CID 99972011
N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-2-[[(2R)-oxan-2-yl]methoxy]acetamide
CID 125170928
(4aR,6S,8aR)-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine-6-carboxamide
CID 154820834
2-[[(2R)-oxan-2-yl]methoxy]-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)acetamide
CID 99980933
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(oxolan-2-ylmethoxy)acetamide
CID 86868384
2-[[(2S)-oxan-2-yl]methoxy]-N-(thiophen-3-ylmethyl)acetamide
CID 124854548
N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-(oxan-2-ylmethoxy)acetamide
CID 137021866
3-(3-methoxyphenyl)-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]propanamide
CID 77090946
N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-2-(oxan-2-ylmethoxy)acetamide
CID 91790876
N-(2-imidazol-1-ylethyl)-2-(oxan-2-ylmethoxy)acetamide
CID 77082155
(3R,6S)-6-amino-1-(oxan-4-yl)-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]azepane-3-carboxamide;dihydrochloride
CID 166599114
N-[3-(6-chloro-1H-benzimidazol-2-yl)propyl]-2-(oxan-2-ylmethoxy)acetamide
CID 91842488

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-2-ylmethoxy)-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]acetamide?
The IUPAC name of 2-(oxan-2-ylmethoxy)-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]acetamide (CID 86284175) is 2-(oxan-2-ylmethoxy)-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]acetamide.
What is the SMILES notation for 2-(oxan-2-ylmethoxy)-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]acetamide?
The canonical SMILES for 2-(oxan-2-ylmethoxy)-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]acetamide is O=C(COCC1CCCCO1)NCc1nc(-c2cnccn2)n[nH]1.
What is the InChIKey of 2-(oxan-2-ylmethoxy)-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]acetamide?
The InChIKey is XLZZGRWYAFRLKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O3/c22-14(10-23-9-11-3-1-2-6-24-11)18-8-13-19-15(21-20-13)12-7-16-4-5-17-12/h4-5,7,11H,1-3,6,8-10H2,(H,18,22)(H,19,20,21).
What are the key properties of 2-(oxan-2-ylmethoxy)-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]acetamide?
2-(oxan-2-ylmethoxy)-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]acetamide has a molecular weight of 332.36 g/mol, XLogP of 0.46, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-2-ylmethoxy)-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]acetamide is sourced from PubChem (CID 86284175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).