5-amino-N-(3-methoxyphenyl)-1-(2-phenylethyl)triazole-4-carboxamide

C18H19N5O2 — CID 5309881

IUPAC5-amino-N-(3-methoxyphenyl)-1-(2-phenylethyl)triazole-4-carboxamide
SMILESCOc1cccc(NC(=O)c2nnn(CCc3ccccc3)c2N)c1
InChIInChI=1S/C18H19N5O2/c1-25-15-9-5-8-14(12-15)20-18(24)16-17(19)23(22-21-16)11-10-13-6-3-2-4-7-13/h2-9,12H,10-11,19H2,1H3,(H,20,24)
InChIKeyWZSKPEOFQLGJIX-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.36
Rot. Bonds6

About 5-amino-N-(3-methoxyphenyl)-1-(2-phenylethyl)triazole-4-carboxamide

5-amino-N-(3-methoxyphenyl)-1-(2-phenylethyl)triazole-4-carboxamide (PubChem CID 5309881) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 5-amino-N-(3-methoxyphenyl)-1-(2-phenylethyl)triazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-(3-methoxyphenyl)-1-(2-phenylethyl)triazole-4-carboxamide
PubChem CID5309881
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name5-amino-N-(3-methoxyphenyl)-1-(2-phenylethyl)triazole-4-carboxamide
SMILESCOc1cccc(NC(=O)c2nnn(CCc3ccccc3)c2N)c1
InChIInChI=1S/C18H19N5O2/c1-25-15-9-5-8-14(12-15)20-18(24)16-17(19)23(22-21-16)11-10-13-6-3-2-4-7-13/h2-9,12H,10-11,19H2,1H3,(H,20,24)
InChIKeyWZSKPEOFQLGJIX-UHFFFAOYSA-N
XLogP2.36
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(3-methoxyphenyl)-1-(2-phenylethyl)triazole-4-carboxamide?
The IUPAC name of 5-amino-N-(3-methoxyphenyl)-1-(2-phenylethyl)triazole-4-carboxamide (CID 5309881) is 5-amino-N-(3-methoxyphenyl)-1-(2-phenylethyl)triazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-(3-methoxyphenyl)-1-(2-phenylethyl)triazole-4-carboxamide?
The canonical SMILES for 5-amino-N-(3-methoxyphenyl)-1-(2-phenylethyl)triazole-4-carboxamide is COc1cccc(NC(=O)c2nnn(CCc3ccccc3)c2N)c1.
What is the InChIKey of 5-amino-N-(3-methoxyphenyl)-1-(2-phenylethyl)triazole-4-carboxamide?
The InChIKey is WZSKPEOFQLGJIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-25-15-9-5-8-14(12-15)20-18(24)16-17(19)23(22-21-16)11-10-13-6-3-2-4-7-13/h2-9,12H,10-11,19H2,1H3,(H,20,24).
What are the key properties of 5-amino-N-(3-methoxyphenyl)-1-(2-phenylethyl)triazole-4-carboxamide?
5-amino-N-(3-methoxyphenyl)-1-(2-phenylethyl)triazole-4-carboxamide has a molecular weight of 337.38 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(3-methoxyphenyl)-1-(2-phenylethyl)triazole-4-carboxamide is sourced from PubChem (CID 5309881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).