2-[[5-(2-methoxyphenyl)-1-phenyl-1,2,4-triazole-3-carbonyl]amino]acetic acid

C18H16N4O4 — CID 170715877

IUPAC2-[[5-(2-methoxyphenyl)-1-phenyl-1,2,4-triazole-3-carbonyl]amino]acetic acid
SMILESCOc1ccccc1-c1nc(C(=O)NCC(=O)O)nn1-c1ccccc1
InChIInChI=1S/C18H16N4O4/c1-26-14-10-6-5-9-13(14)17-20-16(18(25)19-11-15(23)24)21-22(17)12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H,19,25)(H,23,24)
InChIKeyMABPDPXOFJSCMK-UHFFFAOYSA-N
MW352.35 g/mol
LogP1.76
Rot. Bonds6

About 2-[[5-(2-methoxyphenyl)-1-phenyl-1,2,4-triazole-3-carbonyl]amino]acetic acid

2-[[5-(2-methoxyphenyl)-1-phenyl-1,2,4-triazole-3-carbonyl]amino]acetic acid (PubChem CID 170715877) has the molecular formula C18H16N4O4 and a molecular weight of 352.35 g/mol. Its IUPAC name is 2-[[5-(2-methoxyphenyl)-1-phenyl-1,2,4-triazole-3-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[5-(2-methoxyphenyl)-1-phenyl-1,2,4-triazole-3-carbonyl]amino]acetic acid
PubChem CID170715877
Molecular FormulaC18H16N4O4
Molecular Weight352.35 g/mol
Exact Mass352.12
IUPAC Name2-[[5-(2-methoxyphenyl)-1-phenyl-1,2,4-triazole-3-carbonyl]amino]acetic acid
SMILESCOc1ccccc1-c1nc(C(=O)NCC(=O)O)nn1-c1ccccc1
InChIInChI=1S/C18H16N4O4/c1-26-14-10-6-5-9-13(14)17-20-16(18(25)19-11-15(23)24)21-22(17)12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H,19,25)(H,23,24)
InChIKeyMABPDPXOFJSCMK-UHFFFAOYSA-N
XLogP1.76
TPSA106.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.35
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[1-(4-nitrophenyl)-5-phenyl-1,2,4-triazole-3-carbonyl]amino]acetic acid
CID 155927443
N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide
CID 52584333
N-[(3,4-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide
CID 17052400
5-(3-methoxyphenyl)-1-phenyl-N-propyl-1,2,4-triazole-3-carboxamide
CID 17052437
N-(2-methoxy-5-methylphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 4799422
N-[3-(dimethylamino)propyl]-5-(3-methoxyphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide
CID 17052442
1,5-diphenyl-1,2,4-triazole-3-carbohydrazide
CID 2451355
3-chloro-1-(4-chlorophenyl)-5-(2-methoxyphenyl)-1,2,4-triazole
CID 30032770
N-(3-methoxyphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 4849380
ethyl 4-[(1,5-diphenyl-1,2,4-triazole-3-carbonyl)amino]butanoate
CID 37258916
2-[[5-methyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carbonyl]amino]acetic acid
CID 119171359
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 17052353

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2-methoxyphenyl)-1-phenyl-1,2,4-triazole-3-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[5-(2-methoxyphenyl)-1-phenyl-1,2,4-triazole-3-carbonyl]amino]acetic acid (CID 170715877) is 2-[[5-(2-methoxyphenyl)-1-phenyl-1,2,4-triazole-3-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[5-(2-methoxyphenyl)-1-phenyl-1,2,4-triazole-3-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[5-(2-methoxyphenyl)-1-phenyl-1,2,4-triazole-3-carbonyl]amino]acetic acid is COc1ccccc1-c1nc(C(=O)NCC(=O)O)nn1-c1ccccc1.
What is the InChIKey of 2-[[5-(2-methoxyphenyl)-1-phenyl-1,2,4-triazole-3-carbonyl]amino]acetic acid?
The InChIKey is MABPDPXOFJSCMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O4/c1-26-14-10-6-5-9-13(14)17-20-16(18(25)19-11-15(23)24)21-22(17)12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H,19,25)(H,23,24).
What are the key properties of 2-[[5-(2-methoxyphenyl)-1-phenyl-1,2,4-triazole-3-carbonyl]amino]acetic acid?
2-[[5-(2-methoxyphenyl)-1-phenyl-1,2,4-triazole-3-carbonyl]amino]acetic acid has a molecular weight of 352.35 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2-methoxyphenyl)-1-phenyl-1,2,4-triazole-3-carbonyl]amino]acetic acid is sourced from PubChem (CID 170715877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).