5-amino-N-(3-chloro-2-methylphenyl)-1-(4-ethoxyphenyl)triazole-4-carboxamide

C18H18ClN5O2 — CID 27261708

IUPAC5-amino-N-(3-chloro-2-methylphenyl)-1-(4-ethoxyphenyl)triazole-4-carboxamide
SMILESCCOc1ccc(-n2nnc(C(=O)Nc3cccc(Cl)c3C)c2N)cc1
InChIInChI=1S/C18H18ClN5O2/c1-3-26-13-9-7-12(8-10-13)24-17(20)16(22-23-24)18(25)21-15-6-4-5-14(19)11(15)2/h4-10H,3,20H2,1-2H3,(H,21,25)
InChIKeyNUHXDQXBBIANRH-UHFFFAOYSA-N
MW371.83 g/mol
LogP3.46
Rot. Bonds5

About 5-amino-N-(3-chloro-2-methylphenyl)-1-(4-ethoxyphenyl)triazole-4-carboxamide

5-amino-N-(3-chloro-2-methylphenyl)-1-(4-ethoxyphenyl)triazole-4-carboxamide (PubChem CID 27261708) has the molecular formula C18H18ClN5O2 and a molecular weight of 371.83 g/mol. Its IUPAC name is 5-amino-N-(3-chloro-2-methylphenyl)-1-(4-ethoxyphenyl)triazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-(3-chloro-2-methylphenyl)-1-(4-ethoxyphenyl)triazole-4-carboxamide
PubChem CID27261708
Molecular FormulaC18H18ClN5O2
Molecular Weight371.83 g/mol
Exact Mass371.11
IUPAC Name5-amino-N-(3-chloro-2-methylphenyl)-1-(4-ethoxyphenyl)triazole-4-carboxamide
SMILESCCOc1ccc(-n2nnc(C(=O)Nc3cccc(Cl)c3C)c2N)cc1
InChIInChI=1S/C18H18ClN5O2/c1-3-26-13-9-7-12(8-10-13)24-17(20)16(22-23-24)18(25)21-15-6-4-5-14(19)11(15)2/h4-10H,3,20H2,1-2H3,(H,21,25)
InChIKeyNUHXDQXBBIANRH-UHFFFAOYSA-N
XLogP3.46
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.83
LogP ≤ 53.46
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-chloro-2-methylphenyl)-1-(4-ethoxyphenyl)triazole-4-carboxamide?
The IUPAC name of 5-amino-N-(3-chloro-2-methylphenyl)-1-(4-ethoxyphenyl)triazole-4-carboxamide (CID 27261708) is 5-amino-N-(3-chloro-2-methylphenyl)-1-(4-ethoxyphenyl)triazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-(3-chloro-2-methylphenyl)-1-(4-ethoxyphenyl)triazole-4-carboxamide?
The canonical SMILES for 5-amino-N-(3-chloro-2-methylphenyl)-1-(4-ethoxyphenyl)triazole-4-carboxamide is CCOc1ccc(-n2nnc(C(=O)Nc3cccc(Cl)c3C)c2N)cc1.
What is the InChIKey of 5-amino-N-(3-chloro-2-methylphenyl)-1-(4-ethoxyphenyl)triazole-4-carboxamide?
The InChIKey is NUHXDQXBBIANRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN5O2/c1-3-26-13-9-7-12(8-10-13)24-17(20)16(22-23-24)18(25)21-15-6-4-5-14(19)11(15)2/h4-10H,3,20H2,1-2H3,(H,21,25).
What are the key properties of 5-amino-N-(3-chloro-2-methylphenyl)-1-(4-ethoxyphenyl)triazole-4-carboxamide?
5-amino-N-(3-chloro-2-methylphenyl)-1-(4-ethoxyphenyl)triazole-4-carboxamide has a molecular weight of 371.83 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(3-chloro-2-methylphenyl)-1-(4-ethoxyphenyl)triazole-4-carboxamide is sourced from PubChem (CID 27261708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).