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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Related Compounds

5-amino-1-(4-chlorophenyl)-N-(2-ethoxyphenyl)triazole-4-carboxamide
CID 6498251
5-amino-N-[(4-chlorophenyl)methyl]-1-(4-ethoxyphenyl)triazole-4-carboxamide
CID 17014891
5-amino-N-(2-chloro-5-methoxyphenyl)-1-(3-methylphenyl)triazole-4-carboxamide
CID 17015703
5-amino-N-(2,3-dimethylphenyl)-1-(3-methylphenyl)triazole-4-carboxamide
CID 27262034
1-(4-ethoxyphenyl)-5-methyltriazole-4-carboxamide
CID 27655572
1-(4-ethoxyphenyl)-N-(2-ethyl-6-methylphenyl)-5-methyltriazole-4-carboxamide
CID 16649287
5-amino-N-(2,5-dimethylphenyl)-1-(4-methoxyphenyl)triazole-4-carboxamide
CID 17014925
5-amino-N-(2,4-dimethylphenyl)-1-(4-methoxyphenyl)triazole-4-carboxamide
CID 17015807
N-(3-chloro-2-methylphenyl)-2-[[4-(4-ethoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 3818678
1-(3-chloro-2-methylphenyl)-3-[(4-ethoxyphenyl)methyl]urea
CID 108884299
5-amino-N-(2,5-dimethoxyphenyl)-1-(4-methylphenyl)triazole-4-carboxamide
CID 17015721
[2-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 4-ethoxybenzoate
CID 28561396

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).