N-[2-(4-methylphenoxy)propyl]-2H-triazole-4-carboxamide

C13H16N4O2 — CID 71994361

IUPACN-[2-(4-methylphenoxy)propyl]-2H-triazole-4-carboxamide
SMILESCc1ccc(OC(C)CNC(=O)c2cn[nH]n2)cc1
InChIInChI=1S/C13H16N4O2/c1-9-3-5-11(6-4-9)19-10(2)7-14-13(18)12-8-15-17-16-12/h3-6,8,10H,7H2,1-2H3,(H,14,18)(H,15,16,17)
InChIKeyQUGSIFLAWMLODC-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.31
Rot. Bonds5

About N-[2-(4-methylphenoxy)propyl]-2H-triazole-4-carboxamide

N-[2-(4-methylphenoxy)propyl]-2H-triazole-4-carboxamide (PubChem CID 71994361) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is N-[2-(4-methylphenoxy)propyl]-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methylphenoxy)propyl]-2H-triazole-4-carboxamide
PubChem CID71994361
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC NameN-[2-(4-methylphenoxy)propyl]-2H-triazole-4-carboxamide
SMILESCc1ccc(OC(C)CNC(=O)c2cn[nH]n2)cc1
InChIInChI=1S/C13H16N4O2/c1-9-3-5-11(6-4-9)19-10(2)7-14-13(18)12-8-15-17-16-12/h3-6,8,10H,7H2,1-2H3,(H,14,18)(H,15,16,17)
InChIKeyQUGSIFLAWMLODC-UHFFFAOYSA-N
XLogP1.31
TPSA79.90 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 ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylphenoxy)propyl]-2H-triazole-4-carboxamide?
The IUPAC name of N-[2-(4-methylphenoxy)propyl]-2H-triazole-4-carboxamide (CID 71994361) is N-[2-(4-methylphenoxy)propyl]-2H-triazole-4-carboxamide.
What is the SMILES notation for N-[2-(4-methylphenoxy)propyl]-2H-triazole-4-carboxamide?
The canonical SMILES for N-[2-(4-methylphenoxy)propyl]-2H-triazole-4-carboxamide is Cc1ccc(OC(C)CNC(=O)c2cn[nH]n2)cc1.
What is the InChIKey of N-[2-(4-methylphenoxy)propyl]-2H-triazole-4-carboxamide?
The InChIKey is QUGSIFLAWMLODC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-9-3-5-11(6-4-9)19-10(2)7-14-13(18)12-8-15-17-16-12/h3-6,8,10H,7H2,1-2H3,(H,14,18)(H,15,16,17).
What are the key properties of N-[2-(4-methylphenoxy)propyl]-2H-triazole-4-carboxamide?
N-[2-(4-methylphenoxy)propyl]-2H-triazole-4-carboxamide has a molecular weight of 260.30 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylphenoxy)propyl]-2H-triazole-4-carboxamide is sourced from PubChem (CID 71994361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).