5-(3-methyl-4-propoxyphenyl)-2H-triazole-4-carboxamide

C13H16N4O2 — CID 169402490

IUPAC5-(3-methyl-4-propoxyphenyl)-2H-triazole-4-carboxamide
SMILESCCCOc1ccc(-c2n[nH]nc2C(N)=O)cc1C
InChIInChI=1S/C13H16N4O2/c1-3-6-19-10-5-4-9(7-8(10)2)11-12(13(14)18)16-17-15-11/h4-5,7H,3,6H2,1-2H3,(H2,14,18)(H,15,16,17)
InChIKeyCETRANSJPBRRGK-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.67
Rot. Bonds5

About 5-(3-methyl-4-propoxyphenyl)-2H-triazole-4-carboxamide

5-(3-methyl-4-propoxyphenyl)-2H-triazole-4-carboxamide (PubChem CID 169402490) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 5-(3-methyl-4-propoxyphenyl)-2H-triazole-4-carboxamide.

Molecular Properties

Compound Name5-(3-methyl-4-propoxyphenyl)-2H-triazole-4-carboxamide
PubChem CID169402490
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name5-(3-methyl-4-propoxyphenyl)-2H-triazole-4-carboxamide
SMILESCCCOc1ccc(-c2n[nH]nc2C(N)=O)cc1C
InChIInChI=1S/C13H16N4O2/c1-3-6-19-10-5-4-9(7-8(10)2)11-12(13(14)18)16-17-15-11/h4-5,7H,3,6H2,1-2H3,(H2,14,18)(H,15,16,17)
InChIKeyCETRANSJPBRRGK-UHFFFAOYSA-N
XLogP1.67
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[3-(diethylaminomethyl)-4-propoxyphenyl]-2H-triazole-4-carboxamide
CID 169403131
5-(4-butoxy-3-fluorophenyl)-2H-triazole-4-carboxamide
CID 169402524
5-(3-methoxy-4-pentoxyphenyl)-2H-triazole-4-carboxamide
CID 169402811
ethyl 5-(3-ethoxy-4-propoxyphenyl)-2H-triazole-4-carboxylate
CID 169399819
5-(3-ethoxy-4-methoxyphenyl)-2H-triazole-4-carboxamide
CID 169402032
ethyl 4-[5-(5-carbamoyl-2H-triazol-4-yl)-2-methoxyphenoxy]butanoate
CID 169403958
5-[3-ethoxy-4-(3-methylbutoxy)phenyl]-2H-triazole-4-carboxamide
CID 169403821
5-[3-[(4-chloro-2-methylphenoxy)methyl]-4-methoxyphenyl]-2H-triazole-4-carboxamide
CID 169402986
5-(3,5-difluoro-4-propoxyphenyl)-2H-triazole-4-carboxamide
CID 169402590
5-[4-methoxy-3-[(2-methylphenoxy)methyl]phenyl]-2H-triazole-4-carboxamide
CID 169402819
5-(3-bromo-4-methylphenyl)-2H-triazole-4-carboxamide
CID 169402148
ethyl 5-(4-butoxy-3-ethoxyphenyl)-2H-triazole-4-carboxylate
CID 169399810

Frequently Asked Questions

What is the IUPAC name of 5-(3-methyl-4-propoxyphenyl)-2H-triazole-4-carboxamide?
The IUPAC name of 5-(3-methyl-4-propoxyphenyl)-2H-triazole-4-carboxamide (CID 169402490) is 5-(3-methyl-4-propoxyphenyl)-2H-triazole-4-carboxamide.
What is the SMILES notation for 5-(3-methyl-4-propoxyphenyl)-2H-triazole-4-carboxamide?
The canonical SMILES for 5-(3-methyl-4-propoxyphenyl)-2H-triazole-4-carboxamide is CCCOc1ccc(-c2n[nH]nc2C(N)=O)cc1C.
What is the InChIKey of 5-(3-methyl-4-propoxyphenyl)-2H-triazole-4-carboxamide?
The InChIKey is CETRANSJPBRRGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-3-6-19-10-5-4-9(7-8(10)2)11-12(13(14)18)16-17-15-11/h4-5,7H,3,6H2,1-2H3,(H2,14,18)(H,15,16,17).
What are the key properties of 5-(3-methyl-4-propoxyphenyl)-2H-triazole-4-carboxamide?
5-(3-methyl-4-propoxyphenyl)-2H-triazole-4-carboxamide has a molecular weight of 260.30 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methyl-4-propoxyphenyl)-2H-triazole-4-carboxamide is sourced from PubChem (CID 169402490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).