5-amino-1-[(4-ethoxyphenyl)methyl]-N-[(4-methoxyphenyl)methyl]triazole-4-carboxamide

C20H23N5O3 — CID 5309910

IUPAC5-amino-1-[(4-ethoxyphenyl)methyl]-N-[(4-methoxyphenyl)methyl]triazole-4-carboxamide
SMILESCCOc1ccc(Cn2nnc(C(=O)NCc3ccc(OC)cc3)c2N)cc1
InChIInChI=1S/C20H23N5O3/c1-3-28-17-10-6-15(7-11-17)13-25-19(21)18(23-24-25)20(26)22-12-14-4-8-16(27-2)9-5-14/h4-11H,3,12-13,21H2,1-2H3,(H,22,26)
InChIKeySUTNLUMRYCRCTC-UHFFFAOYSA-N
MW381.44 g/mol
LogP2.25
Rot. Bonds8

About 5-amino-1-[(4-ethoxyphenyl)methyl]-N-[(4-methoxyphenyl)methyl]triazole-4-carboxamide

5-amino-1-[(4-ethoxyphenyl)methyl]-N-[(4-methoxyphenyl)methyl]triazole-4-carboxamide (PubChem CID 5309910) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is 5-amino-1-[(4-ethoxyphenyl)methyl]-N-[(4-methoxyphenyl)methyl]triazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-[(4-ethoxyphenyl)methyl]-N-[(4-methoxyphenyl)methyl]triazole-4-carboxamide
PubChem CID5309910
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC Name5-amino-1-[(4-ethoxyphenyl)methyl]-N-[(4-methoxyphenyl)methyl]triazole-4-carboxamide
SMILESCCOc1ccc(Cn2nnc(C(=O)NCc3ccc(OC)cc3)c2N)cc1
InChIInChI=1S/C20H23N5O3/c1-3-28-17-10-6-15(7-11-17)13-25-19(21)18(23-24-25)20(26)22-12-14-4-8-16(27-2)9-5-14/h4-11H,3,12-13,21H2,1-2H3,(H,22,26)
InChIKeySUTNLUMRYCRCTC-UHFFFAOYSA-N
XLogP2.25
TPSA104.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[(4-ethoxyphenyl)methyl]-N-[(4-methoxyphenyl)methyl]triazole-4-carboxamide?
The IUPAC name of 5-amino-1-[(4-ethoxyphenyl)methyl]-N-[(4-methoxyphenyl)methyl]triazole-4-carboxamide (CID 5309910) is 5-amino-1-[(4-ethoxyphenyl)methyl]-N-[(4-methoxyphenyl)methyl]triazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-[(4-ethoxyphenyl)methyl]-N-[(4-methoxyphenyl)methyl]triazole-4-carboxamide?
The canonical SMILES for 5-amino-1-[(4-ethoxyphenyl)methyl]-N-[(4-methoxyphenyl)methyl]triazole-4-carboxamide is CCOc1ccc(Cn2nnc(C(=O)NCc3ccc(OC)cc3)c2N)cc1.
What is the InChIKey of 5-amino-1-[(4-ethoxyphenyl)methyl]-N-[(4-methoxyphenyl)methyl]triazole-4-carboxamide?
The InChIKey is SUTNLUMRYCRCTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3/c1-3-28-17-10-6-15(7-11-17)13-25-19(21)18(23-24-25)20(26)22-12-14-4-8-16(27-2)9-5-14/h4-11H,3,12-13,21H2,1-2H3,(H,22,26).
What are the key properties of 5-amino-1-[(4-ethoxyphenyl)methyl]-N-[(4-methoxyphenyl)methyl]triazole-4-carboxamide?
5-amino-1-[(4-ethoxyphenyl)methyl]-N-[(4-methoxyphenyl)methyl]triazole-4-carboxamide has a molecular weight of 381.44 g/mol, XLogP of 2.25, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[(4-ethoxyphenyl)methyl]-N-[(4-methoxyphenyl)methyl]triazole-4-carboxamide is sourced from PubChem (CID 5309910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).