5-[3-[(3,4-diethoxyphenyl)methoxy]phenyl]-2H-triazole-4-carboxamide

C20H22N4O4 — CID 169402978

IUPAC5-[3-[(3,4-diethoxyphenyl)methoxy]phenyl]-2H-triazole-4-carboxamide
SMILESCCOc1ccc(COc2cccc(-c3n[nH]nc3C(N)=O)c2)cc1OCC
InChIInChI=1S/C20H22N4O4/c1-3-26-16-9-8-13(10-17(16)27-4-2)12-28-15-7-5-6-14(11-15)18-19(20(21)25)23-24-22-18/h5-11H,3-4,12H2,1-2H3,(H2,21,25)(H,22,23,24)
InChIKeyZKIONMFKXBUFED-UHFFFAOYSA-N
MW382.42 g/mol
LogP2.95
Rot. Bonds9

About 5-[3-[(3,4-diethoxyphenyl)methoxy]phenyl]-2H-triazole-4-carboxamide

5-[3-[(3,4-diethoxyphenyl)methoxy]phenyl]-2H-triazole-4-carboxamide (PubChem CID 169402978) has the molecular formula C20H22N4O4 and a molecular weight of 382.42 g/mol. Its IUPAC name is 5-[3-[(3,4-diethoxyphenyl)methoxy]phenyl]-2H-triazole-4-carboxamide.

Molecular Properties

Compound Name5-[3-[(3,4-diethoxyphenyl)methoxy]phenyl]-2H-triazole-4-carboxamide
PubChem CID169402978
Molecular FormulaC20H22N4O4
Molecular Weight382.42 g/mol
Exact Mass382.16
IUPAC Name5-[3-[(3,4-diethoxyphenyl)methoxy]phenyl]-2H-triazole-4-carboxamide
SMILESCCOc1ccc(COc2cccc(-c3n[nH]nc3C(N)=O)c2)cc1OCC
InChIInChI=1S/C20H22N4O4/c1-3-26-16-9-8-13(10-17(16)27-4-2)12-28-15-7-5-6-14(11-15)18-19(20(21)25)23-24-22-18/h5-11H,3-4,12H2,1-2H3,(H2,21,25)(H,22,23,24)
InChIKeyZKIONMFKXBUFED-UHFFFAOYSA-N
XLogP2.95
TPSA112.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[3-[(4-chlorophenyl)methoxy]phenyl]-2H-triazole-4-carboxamide
CID 169403109
5-[3-[(3-chloro-4-fluorophenyl)methoxy]phenyl]-2H-triazole-4-carboxamide
CID 169402462
5-(3-ethoxy-4-methoxyphenyl)-2H-triazole-4-carboxamide
CID 169402032
5-[3-ethoxy-4-(3-methylbutoxy)phenyl]-2H-triazole-4-carboxamide
CID 169403821
5-(4-methoxy-3-phenylmethoxyphenyl)-2H-triazole-4-carboxamide
CID 169402081
2-[3-(5-ethoxycarbonyl-2H-triazol-4-yl)phenoxy]acetic acid
CID 169400608
5-[3-[(2,3-difluorophenoxy)methyl]phenyl]-2H-triazole-4-carboxamide
CID 169402724
ethyl 5-[4-[(4-bromophenyl)methoxy]-3-ethoxyphenyl]-2H-triazole-4-carboxylate
CID 169400742
5-[3-[(4-ethylphenoxy)methyl]-4-methoxyphenyl]-2H-triazole-4-carboxamide
CID 169402827
5-[3-ethoxy-4-[2-(naphthalen-1-ylamino)-2-oxoethoxy]phenyl]-2H-triazole-4-carboxamide
CID 169403992
5-[4-(3-methoxyphenyl)phenyl]-2H-triazole-4-carboxamide
CID 169402846
5-(4-cyclopentyloxy-3-ethoxyphenyl)-2H-triazole-4-carboxamide
CID 169402963

Frequently Asked Questions

What is the IUPAC name of 5-[3-[(3,4-diethoxyphenyl)methoxy]phenyl]-2H-triazole-4-carboxamide?
The IUPAC name of 5-[3-[(3,4-diethoxyphenyl)methoxy]phenyl]-2H-triazole-4-carboxamide (CID 169402978) is 5-[3-[(3,4-diethoxyphenyl)methoxy]phenyl]-2H-triazole-4-carboxamide.
What is the SMILES notation for 5-[3-[(3,4-diethoxyphenyl)methoxy]phenyl]-2H-triazole-4-carboxamide?
The canonical SMILES for 5-[3-[(3,4-diethoxyphenyl)methoxy]phenyl]-2H-triazole-4-carboxamide is CCOc1ccc(COc2cccc(-c3n[nH]nc3C(N)=O)c2)cc1OCC.
What is the InChIKey of 5-[3-[(3,4-diethoxyphenyl)methoxy]phenyl]-2H-triazole-4-carboxamide?
The InChIKey is ZKIONMFKXBUFED-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4/c1-3-26-16-9-8-13(10-17(16)27-4-2)12-28-15-7-5-6-14(11-15)18-19(20(21)25)23-24-22-18/h5-11H,3-4,12H2,1-2H3,(H2,21,25)(H,22,23,24).
What are the key properties of 5-[3-[(3,4-diethoxyphenyl)methoxy]phenyl]-2H-triazole-4-carboxamide?
5-[3-[(3,4-diethoxyphenyl)methoxy]phenyl]-2H-triazole-4-carboxamide has a molecular weight of 382.42 g/mol, XLogP of 2.95, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(3,4-diethoxyphenyl)methoxy]phenyl]-2H-triazole-4-carboxamide is sourced from PubChem (CID 169402978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).