5-amino-N-(2,5-dichlorophenyl)-1-(4-methylphenyl)triazole-4-carboxamide

C16H13Cl2N5O — CID 27261544

IUPAC5-amino-N-(2,5-dichlorophenyl)-1-(4-methylphenyl)triazole-4-carboxamide
SMILESCc1ccc(-n2nnc(C(=O)Nc3cc(Cl)ccc3Cl)c2N)cc1
InChIInChI=1S/C16H13Cl2N5O/c1-9-2-5-11(6-3-9)23-15(19)14(21-22-23)16(24)20-13-8-10(17)4-7-12(13)18/h2-8H,19H2,1H3,(H,20,24)
InChIKeyOMQUWPKGNNVXRR-UHFFFAOYSA-N
MW362.22 g/mol
LogP3.72
Rot. Bonds3

About 5-amino-N-(2,5-dichlorophenyl)-1-(4-methylphenyl)triazole-4-carboxamide

5-amino-N-(2,5-dichlorophenyl)-1-(4-methylphenyl)triazole-4-carboxamide (PubChem CID 27261544) has the molecular formula C16H13Cl2N5O and a molecular weight of 362.22 g/mol. Its IUPAC name is 5-amino-N-(2,5-dichlorophenyl)-1-(4-methylphenyl)triazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-(2,5-dichlorophenyl)-1-(4-methylphenyl)triazole-4-carboxamide
PubChem CID27261544
Molecular FormulaC16H13Cl2N5O
Molecular Weight362.22 g/mol
Exact Mass361.05
IUPAC Name5-amino-N-(2,5-dichlorophenyl)-1-(4-methylphenyl)triazole-4-carboxamide
SMILESCc1ccc(-n2nnc(C(=O)Nc3cc(Cl)ccc3Cl)c2N)cc1
InChIInChI=1S/C16H13Cl2N5O/c1-9-2-5-11(6-3-9)23-15(19)14(21-22-23)16(24)20-13-8-10(17)4-7-12(13)18/h2-8H,19H2,1H3,(H,20,24)
InChIKeyOMQUWPKGNNVXRR-UHFFFAOYSA-N
XLogP3.72
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.22
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2,5-dichlorophenyl)-1-(4-methylphenyl)triazole-4-carboxamide?
The IUPAC name of 5-amino-N-(2,5-dichlorophenyl)-1-(4-methylphenyl)triazole-4-carboxamide (CID 27261544) is 5-amino-N-(2,5-dichlorophenyl)-1-(4-methylphenyl)triazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-(2,5-dichlorophenyl)-1-(4-methylphenyl)triazole-4-carboxamide?
The canonical SMILES for 5-amino-N-(2,5-dichlorophenyl)-1-(4-methylphenyl)triazole-4-carboxamide is Cc1ccc(-n2nnc(C(=O)Nc3cc(Cl)ccc3Cl)c2N)cc1.
What is the InChIKey of 5-amino-N-(2,5-dichlorophenyl)-1-(4-methylphenyl)triazole-4-carboxamide?
The InChIKey is OMQUWPKGNNVXRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N5O/c1-9-2-5-11(6-3-9)23-15(19)14(21-22-23)16(24)20-13-8-10(17)4-7-12(13)18/h2-8H,19H2,1H3,(H,20,24).
What are the key properties of 5-amino-N-(2,5-dichlorophenyl)-1-(4-methylphenyl)triazole-4-carboxamide?
5-amino-N-(2,5-dichlorophenyl)-1-(4-methylphenyl)triazole-4-carboxamide has a molecular weight of 362.22 g/mol, XLogP of 3.72, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2,5-dichlorophenyl)-1-(4-methylphenyl)triazole-4-carboxamide is sourced from PubChem (CID 27261544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).