4-[4-[(5-amino-1H-1,2,4-triazol-3-yl)amino]-2,6-dichlorophenyl]benzamide

C15H12Cl2N6O — CID 90391771

IUPAC4-[4-[(5-amino-1H-1,2,4-triazol-3-yl)amino]-2,6-dichlorophenyl]benzamide
SMILESNC(=O)c1ccc(-c2c(Cl)cc(Nc3n[nH]c(N)n3)cc2Cl)cc1
InChIInChI=1S/C15H12Cl2N6O/c16-10-5-9(20-15-21-14(19)22-23-15)6-11(17)12(10)7-1-3-8(4-2-7)13(18)24/h1-6H,(H2,18,24)(H4,19,20,21,22,23)
InChIKeyOUNKCGYIVJFCBC-UHFFFAOYSA-N
MW363.21 g/mol
LogP3.20
Rot. Bonds4

About 4-[4-[(5-amino-1H-1,2,4-triazol-3-yl)amino]-2,6-dichlorophenyl]benzamide

4-[4-[(5-amino-1H-1,2,4-triazol-3-yl)amino]-2,6-dichlorophenyl]benzamide (PubChem CID 90391771) has the molecular formula C15H12Cl2N6O and a molecular weight of 363.21 g/mol. Its IUPAC name is 4-[4-[(5-amino-1H-1,2,4-triazol-3-yl)amino]-2,6-dichlorophenyl]benzamide.

Molecular Properties

Compound Name4-[4-[(5-amino-1H-1,2,4-triazol-3-yl)amino]-2,6-dichlorophenyl]benzamide
PubChem CID90391771
Molecular FormulaC15H12Cl2N6O
Molecular Weight363.21 g/mol
Exact Mass362.04
IUPAC Name4-[4-[(5-amino-1H-1,2,4-triazol-3-yl)amino]-2,6-dichlorophenyl]benzamide
SMILESNC(=O)c1ccc(-c2c(Cl)cc(Nc3n[nH]c(N)n3)cc2Cl)cc1
InChIInChI=1S/C15H12Cl2N6O/c16-10-5-9(20-15-21-14(19)22-23-15)6-11(17)12(10)7-1-3-8(4-2-7)13(18)24/h1-6H,(H2,18,24)(H4,19,20,21,22,23)
InChIKeyOUNKCGYIVJFCBC-UHFFFAOYSA-N
XLogP3.20
TPSA122.71 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.21
LogP ≤ 53.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-amino-1-phenyl-1H-1,2,4-triazol-3-yl)-2-chlorobenzamide
CID 930185
4'-(5-amino-1H-1,2,4-triazol-3-ylamino)-2'-chloro-4-fluoro-N-methyl-6'-(trifluoromethyl)biphenyl-3-carboxamide
CID 118624766
N3-(2,6-dichloro-2'-fluorobiphenyl-4-yl)-1H-1,2,4-triazole-3,5-diamine
CID 118624777
3-N-[3,5-dichloro-4-(4-fluorophenyl)phenyl]-1H-1,2,4-triazole-3,5-diamine
CID 118624996
4'-(5-amino-1H-1,2,4-triazol-3-ylamino)-2'-chloro-3-fluoro-N-methyl-6'-(trifluoromethyl)biphenyl-4-carboxamide
CID 118625006
4'-(5-amino-1H-1,2,4-triazol-3-ylamino)-2'-chloro-N-methyl-6'-(trifluoromethyl)biphenyl-4-carboxamide
CID 118625067
3-N-[3,5-dichloro-4-[4-(trifluoromethyl)phenyl]phenyl]-1H-1,2,4-triazole-3,5-diamine
CID 118632466
4,4-Difluorocyclohexanecarboxylic acid [4'-(5-amino-1H-[1,2,4]triazol-3-ylamino)-2',6'-dichloro-biphenyl-4-yl]-amide
CID 118632513
N-(5-anilino-1H-1,2,4-triazol-3-yl)benzamide
CID 125464900
4'-(5-Amino-1H-[1,2,4]triazol-3-ylamino)-2',6'-dichloro-biphenyl-4-carboxylic acid tert-butylamide
CID 85469713
N-[4-[4-[(5-amino-1H-1,2,4-triazol-3-yl)amino]-2,6-dichlorophenyl]phenyl]pentanamide
CID 85469769
1-[4-[4-[(5-amino-1H-1,2,4-triazol-3-yl)amino]-2,6-dichlorophenyl]phenyl]pyrrolidin-2-one
CID 85470055

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(5-amino-1H-1,2,4-triazol-3-yl)amino]-2,6-dichlorophenyl]benzamide?
The IUPAC name of 4-[4-[(5-amino-1H-1,2,4-triazol-3-yl)amino]-2,6-dichlorophenyl]benzamide (CID 90391771) is 4-[4-[(5-amino-1H-1,2,4-triazol-3-yl)amino]-2,6-dichlorophenyl]benzamide.
What is the SMILES notation for 4-[4-[(5-amino-1H-1,2,4-triazol-3-yl)amino]-2,6-dichlorophenyl]benzamide?
The canonical SMILES for 4-[4-[(5-amino-1H-1,2,4-triazol-3-yl)amino]-2,6-dichlorophenyl]benzamide is NC(=O)c1ccc(-c2c(Cl)cc(Nc3n[nH]c(N)n3)cc2Cl)cc1.
What is the InChIKey of 4-[4-[(5-amino-1H-1,2,4-triazol-3-yl)amino]-2,6-dichlorophenyl]benzamide?
The InChIKey is OUNKCGYIVJFCBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N6O/c16-10-5-9(20-15-21-14(19)22-23-15)6-11(17)12(10)7-1-3-8(4-2-7)13(18)24/h1-6H,(H2,18,24)(H4,19,20,21,22,23).
What are the key properties of 4-[4-[(5-amino-1H-1,2,4-triazol-3-yl)amino]-2,6-dichlorophenyl]benzamide?
4-[4-[(5-amino-1H-1,2,4-triazol-3-yl)amino]-2,6-dichlorophenyl]benzamide has a molecular weight of 363.21 g/mol, XLogP of 3.20, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(5-amino-1H-1,2,4-triazol-3-yl)amino]-2,6-dichlorophenyl]benzamide is sourced from PubChem (CID 90391771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).