4-phenylmethoxy-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)butanamide

C17H19N5O2 — CID 126818822

IUPAC4-phenylmethoxy-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)butanamide
SMILESO=C(CCCOCc1ccccc1)NCc1nc2ncccn2n1
InChIInChI=1S/C17H19N5O2/c23-16(8-4-11-24-13-14-6-2-1-3-7-14)19-12-15-20-17-18-9-5-10-22(17)21-15/h1-3,5-7,9-10H,4,8,11-13H2,(H,19,23)
InChIKeyUKYKQITZWRHOCS-UHFFFAOYSA-N
MW325.37 g/mol
LogP1.74
Rot. Bonds8

About 4-phenylmethoxy-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)butanamide

4-phenylmethoxy-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)butanamide (PubChem CID 126818822) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is 4-phenylmethoxy-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)butanamide.

Molecular Properties

Compound Name4-phenylmethoxy-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)butanamide
PubChem CID126818822
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name4-phenylmethoxy-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)butanamide
SMILESO=C(CCCOCc1ccccc1)NCc1nc2ncccn2n1
InChIInChI=1S/C17H19N5O2/c23-16(8-4-11-24-13-14-6-2-1-3-7-14)19-12-15-20-17-18-9-5-10-22(17)21-15/h1-3,5-7,9-10H,4,8,11-13H2,(H,19,23)
InChIKeyUKYKQITZWRHOCS-UHFFFAOYSA-N
XLogP1.74
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-4-phenylmethoxybutanamide
CID 15396752
2-(4-phenylmethoxybutanoylamino)pyridine-3-carboxylic acid
CID 23151222
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide
CID 24578546
6-phenylmethoxy-N-[7-(6-phenylmethoxyhexanoylamino)-1,8-naphthyridin-2-yl]hexanamide
CID 11678584
2-oxo-5-phenylmethoxypentanal
CID 166844444
N-[3-(diethylamino)-3-oxopropyl]-4-phenylmethoxybutanamide
CID 49381134
N-(3-phenylpropyl)-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide
CID 37196826
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-6-phenylmethoxyhexanamide
CID 102329033
(2S)-2-(methylamino)-6-phenylmethoxyhexan-3-one
CID 165468105
1-(11-phenylmethoxyundecyl)pyrazole
CID 171475049
4-(2-phenylmethoxyethoxy)butanoic acid
CID 155072083
2,4,6-tris(4-phenylmethoxybutoxy)-1,3,5-triazine
CID 139880669

Frequently Asked Questions

What is the IUPAC name of 4-phenylmethoxy-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)butanamide?
The IUPAC name of 4-phenylmethoxy-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)butanamide (CID 126818822) is 4-phenylmethoxy-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)butanamide.
What is the SMILES notation for 4-phenylmethoxy-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)butanamide?
The canonical SMILES for 4-phenylmethoxy-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)butanamide is O=C(CCCOCc1ccccc1)NCc1nc2ncccn2n1.
What is the InChIKey of 4-phenylmethoxy-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)butanamide?
The InChIKey is UKYKQITZWRHOCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c23-16(8-4-11-24-13-14-6-2-1-3-7-14)19-12-15-20-17-18-9-5-10-22(17)21-15/h1-3,5-7,9-10H,4,8,11-13H2,(H,19,23).
What are the key properties of 4-phenylmethoxy-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)butanamide?
4-phenylmethoxy-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)butanamide has a molecular weight of 325.37 g/mol, XLogP of 1.74, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylmethoxy-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)butanamide is sourced from PubChem (CID 126818822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).