N-cyclobutyloxy-3-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide

C14H16N4O2 — CID 166216124

IUPACN-cyclobutyloxy-3-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
SMILESCc1nc(-c2cccc(C(=O)NOC3CCC3)c2)n[nH]1
InChIInChI=1S/C14H16N4O2/c1-9-15-13(17-16-9)10-4-2-5-11(8-10)14(19)18-20-12-6-3-7-12/h2,4-5,8,12H,3,6-7H2,1H3,(H,18,19)(H,15,16,17)
InChIKeyRYUGYAGEKLTXPX-UHFFFAOYSA-N
MW272.31 g/mol
LogP1.99
Rot. Bonds4

About N-cyclobutyloxy-3-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide

N-cyclobutyloxy-3-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide (PubChem CID 166216124) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is N-cyclobutyloxy-3-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide.

Molecular Properties

Compound NameN-cyclobutyloxy-3-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
PubChem CID166216124
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC NameN-cyclobutyloxy-3-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
SMILESCc1nc(-c2cccc(C(=O)NOC3CCC3)c2)n[nH]1
InChIInChI=1S/C14H16N4O2/c1-9-15-13(17-16-9)10-4-2-5-11(8-10)14(19)18-20-12-6-3-7-12/h2,4-5,8,12H,3,6-7H2,1H3,(H,18,19)(H,15,16,17)
InChIKeyRYUGYAGEKLTXPX-UHFFFAOYSA-N
XLogP1.99
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[[3-(5-methyl-1H-1,2,4-triazol-3-yl)benzoyl]amino]oxyacetate
CID 167909307
3-(5-methyl-1H-1,2,4-triazol-3-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide
CID 71930144
2-(cyclopropylamino)-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide
CID 60928278
N-(4-hydroxy-2,2-dimethylpentyl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
CID 111831347
N-[(2S)-4-methylsulfanylbutan-2-yl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
CID 95971468
N-(2-hydroxy-1-phenylethyl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
CID 110001357
N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]cyclohex-3-ene-1-carboxamide
CID 131909357
N-[(2S)-1-anilino-1-oxopropan-2-yl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
CID 95971466
N-cyclopentyloxy-3-(2-methoxyethoxy)benzamide
CID 75442730
3-amino-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-1H-pyrazole-5-carboxamide
CID 64525875
N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2-(oxan-3-yl)acetamide
CID 131932133
N-cyclopentyloxy-3-hydroxy-4-methylbenzamide
CID 83235676

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyloxy-3-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide?
The IUPAC name of N-cyclobutyloxy-3-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide (CID 166216124) is N-cyclobutyloxy-3-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide.
What is the SMILES notation for N-cyclobutyloxy-3-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide?
The canonical SMILES for N-cyclobutyloxy-3-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide is Cc1nc(-c2cccc(C(=O)NOC3CCC3)c2)n[nH]1.
What is the InChIKey of N-cyclobutyloxy-3-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide?
The InChIKey is RYUGYAGEKLTXPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-9-15-13(17-16-9)10-4-2-5-11(8-10)14(19)18-20-12-6-3-7-12/h2,4-5,8,12H,3,6-7H2,1H3,(H,18,19)(H,15,16,17).
What are the key properties of N-cyclobutyloxy-3-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide?
N-cyclobutyloxy-3-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide has a molecular weight of 272.31 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyloxy-3-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide is sourced from PubChem (CID 166216124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).