5-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-2H-triazole-4-carboxamide

C12H10N6O2 — CID 169404665

IUPAC5-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-2H-triazole-4-carboxamide
SMILESCc1noc(-c2cccc(-c3n[nH]nc3C(N)=O)c2)n1
InChIInChI=1S/C12H10N6O2/c1-6-14-12(20-17-6)8-4-2-3-7(5-8)9-10(11(13)19)16-18-15-9/h2-5H,1H3,(H2,13,19)(H,15,16,18)
InChIKeyFCTROGOWYPORIO-UHFFFAOYSA-N
MW270.25 g/mol
LogP0.93
Rot. Bonds3

About 5-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-2H-triazole-4-carboxamide

5-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-2H-triazole-4-carboxamide (PubChem CID 169404665) has the molecular formula C12H10N6O2 and a molecular weight of 270.25 g/mol. Its IUPAC name is 5-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-2H-triazole-4-carboxamide.

Molecular Properties

Compound Name5-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-2H-triazole-4-carboxamide
PubChem CID169404665
Molecular FormulaC12H10N6O2
Molecular Weight270.25 g/mol
Exact Mass270.09
IUPAC Name5-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-2H-triazole-4-carboxamide
SMILESCc1noc(-c2cccc(-c3n[nH]nc3C(N)=O)c2)n1
InChIInChI=1S/C12H10N6O2/c1-6-14-12(20-17-6)8-4-2-3-7(5-8)9-10(11(13)19)16-18-15-9/h2-5H,1H3,(H2,13,19)(H,15,16,18)
InChIKeyFCTROGOWYPORIO-UHFFFAOYSA-N
XLogP0.93
TPSA123.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[3-(furan-2-yl)phenyl]-2H-triazole-4-carboxamide
CID 169402380
5-(3-bromo-4-methylphenyl)-2H-triazole-4-carboxamide
CID 169402148
5-[3-[(dimethylamino)methyl]phenyl]-2H-triazole-4-carboxamide
CID 169403261
5-[3-(3-fluoro-4-methoxyphenyl)phenyl]-2H-triazole-4-carboxamide
CID 169403048
5-[3-(1,3-dioxolan-2-ylmethoxy)phenyl]-2H-triazole-4-carboxamide
CID 169402542
5-(2,3-dimethylphenyl)-2H-triazole-4-carboxamide
CID 169402107
5-[3-[(2,3-difluorophenoxy)methyl]phenyl]-2H-triazole-4-carboxamide
CID 169402724
5-[3-(azepan-1-ylmethyl)phenyl]-2H-triazole-4-carboxamide
CID 169402644
5-(1-propan-2-ylindol-5-yl)-2H-triazole-4-carboxamide
CID 169403832
5-(3,5-dihydroxyphenyl)-2H-triazole-4-carboxamide
CID 169402317
benzyl N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]carbamate
CID 110643709
ethyl 5-[3-(3-cyanophenyl)phenyl]-2H-triazole-4-carboxylate
CID 169399882

Frequently Asked Questions

What is the IUPAC name of 5-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-2H-triazole-4-carboxamide?
The IUPAC name of 5-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-2H-triazole-4-carboxamide (CID 169404665) is 5-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-2H-triazole-4-carboxamide.
What is the SMILES notation for 5-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-2H-triazole-4-carboxamide?
The canonical SMILES for 5-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-2H-triazole-4-carboxamide is Cc1noc(-c2cccc(-c3n[nH]nc3C(N)=O)c2)n1.
What is the InChIKey of 5-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-2H-triazole-4-carboxamide?
The InChIKey is FCTROGOWYPORIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N6O2/c1-6-14-12(20-17-6)8-4-2-3-7(5-8)9-10(11(13)19)16-18-15-9/h2-5H,1H3,(H2,13,19)(H,15,16,18).
What are the key properties of 5-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-2H-triazole-4-carboxamide?
5-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-2H-triazole-4-carboxamide has a molecular weight of 270.25 g/mol, XLogP of 0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-2H-triazole-4-carboxamide is sourced from PubChem (CID 169404665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).