5-(4-cyclopentyloxy-3-ethoxyphenyl)-2H-triazole-4-carboxamide

C16H20N4O3 — CID 169402963

IUPAC5-(4-cyclopentyloxy-3-ethoxyphenyl)-2H-triazole-4-carboxamide
SMILESCCOc1cc(-c2n[nH]nc2C(N)=O)ccc1OC1CCCC1
InChIInChI=1S/C16H20N4O3/c1-2-22-13-9-10(14-15(16(17)21)19-20-18-14)7-8-12(13)23-11-5-3-4-6-11/h7-9,11H,2-6H2,1H3,(H2,17,21)(H,18,19,20)
InChIKeyRANURQHXBCKSLZ-UHFFFAOYSA-N
MW316.36 g/mol
LogP2.29
Rot. Bonds6

About 5-(4-cyclopentyloxy-3-ethoxyphenyl)-2H-triazole-4-carboxamide

5-(4-cyclopentyloxy-3-ethoxyphenyl)-2H-triazole-4-carboxamide (PubChem CID 169402963) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is 5-(4-cyclopentyloxy-3-ethoxyphenyl)-2H-triazole-4-carboxamide.

Molecular Properties

Compound Name5-(4-cyclopentyloxy-3-ethoxyphenyl)-2H-triazole-4-carboxamide
PubChem CID169402963
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Name5-(4-cyclopentyloxy-3-ethoxyphenyl)-2H-triazole-4-carboxamide
SMILESCCOc1cc(-c2n[nH]nc2C(N)=O)ccc1OC1CCCC1
InChIInChI=1S/C16H20N4O3/c1-2-22-13-9-10(14-15(16(17)21)19-20-18-14)7-8-12(13)23-11-5-3-4-6-11/h7-9,11H,2-6H2,1H3,(H2,17,21)(H,18,19,20)
InChIKeyRANURQHXBCKSLZ-UHFFFAOYSA-N
XLogP2.29
TPSA103.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-ethoxy-4-methoxyphenyl)-2H-triazole-4-carboxamide
CID 169402032
5-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-2H-triazole-4-carboxamide
CID 169402338
5-[3-ethoxy-4-(3-methylbutoxy)phenyl]-2H-triazole-4-carboxamide
CID 169403821
ethyl 4-[5-(5-carbamoyl-2H-triazol-4-yl)-2-methoxyphenoxy]butanoate
CID 169403958
ethyl 5-(3-ethoxy-4-propoxyphenyl)-2H-triazole-4-carboxylate
CID 169399819
5-[3-[(3,4-diethoxyphenyl)methoxy]phenyl]-2H-triazole-4-carboxamide
CID 169402978
ethyl 5-(3-ethoxy-4-propanoyloxyphenyl)-2H-triazole-4-carboxylate
CID 169400780
ethyl 5-(4-butoxy-3-ethoxyphenyl)-2H-triazole-4-carboxylate
CID 169399810
5-[3-ethoxy-4-[2-(naphthalen-1-ylamino)-2-oxoethoxy]phenyl]-2H-triazole-4-carboxamide
CID 169403992
5-(3-methyl-4-propoxyphenyl)-2H-triazole-4-carboxamide
CID 169402490
5-(4-methoxy-3-phenylmethoxyphenyl)-2H-triazole-4-carboxamide
CID 169402081
5-(3-methoxy-4-pentoxyphenyl)-2H-triazole-4-carboxamide
CID 169402811

Frequently Asked Questions

What is the IUPAC name of 5-(4-cyclopentyloxy-3-ethoxyphenyl)-2H-triazole-4-carboxamide?
The IUPAC name of 5-(4-cyclopentyloxy-3-ethoxyphenyl)-2H-triazole-4-carboxamide (CID 169402963) is 5-(4-cyclopentyloxy-3-ethoxyphenyl)-2H-triazole-4-carboxamide.
What is the SMILES notation for 5-(4-cyclopentyloxy-3-ethoxyphenyl)-2H-triazole-4-carboxamide?
The canonical SMILES for 5-(4-cyclopentyloxy-3-ethoxyphenyl)-2H-triazole-4-carboxamide is CCOc1cc(-c2n[nH]nc2C(N)=O)ccc1OC1CCCC1.
What is the InChIKey of 5-(4-cyclopentyloxy-3-ethoxyphenyl)-2H-triazole-4-carboxamide?
The InChIKey is RANURQHXBCKSLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-2-22-13-9-10(14-15(16(17)21)19-20-18-14)7-8-12(13)23-11-5-3-4-6-11/h7-9,11H,2-6H2,1H3,(H2,17,21)(H,18,19,20).
What are the key properties of 5-(4-cyclopentyloxy-3-ethoxyphenyl)-2H-triazole-4-carboxamide?
5-(4-cyclopentyloxy-3-ethoxyphenyl)-2H-triazole-4-carboxamide has a molecular weight of 316.36 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-cyclopentyloxy-3-ethoxyphenyl)-2H-triazole-4-carboxamide is sourced from PubChem (CID 169402963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).