2-methoxy-N-methyl-5-[(1-phenyl-1,2,4-triazol-3-yl)amino]benzamide

C17H17N5O2 — CID 134589371

IUPAC2-methoxy-N-methyl-5-[(1-phenyl-1,2,4-triazol-3-yl)amino]benzamide
SMILESCNC(=O)c1cc(Nc2ncn(-c3ccccc3)n2)ccc1OC
InChIInChI=1S/C17H17N5O2/c1-18-16(23)14-10-12(8-9-15(14)24-2)20-17-19-11-22(21-17)13-6-4-3-5-7-13/h3-11H,1-2H3,(H,18,23)(H,20,21)
InChIKeyQFGHVDKMJYPYNU-UHFFFAOYSA-N
MW323.36 g/mol
LogP2.38
Rot. Bonds5

About 2-methoxy-N-methyl-5-[(1-phenyl-1,2,4-triazol-3-yl)amino]benzamide

2-methoxy-N-methyl-5-[(1-phenyl-1,2,4-triazol-3-yl)amino]benzamide (PubChem CID 134589371) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is 2-methoxy-N-methyl-5-[(1-phenyl-1,2,4-triazol-3-yl)amino]benzamide.

Molecular Properties

Compound Name2-methoxy-N-methyl-5-[(1-phenyl-1,2,4-triazol-3-yl)amino]benzamide
PubChem CID134589371
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC Name2-methoxy-N-methyl-5-[(1-phenyl-1,2,4-triazol-3-yl)amino]benzamide
SMILESCNC(=O)c1cc(Nc2ncn(-c3ccccc3)n2)ccc1OC
InChIInChI=1S/C17H17N5O2/c1-18-16(23)14-10-12(8-9-15(14)24-2)20-17-19-11-22(21-17)13-6-4-3-5-7-13/h3-11H,1-2H3,(H,18,23)(H,20,21)
InChIKeyQFGHVDKMJYPYNU-UHFFFAOYSA-N
XLogP2.38
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-methoxy-5-[(1-phenyl-1,2,4-triazol-3-yl)amino]benzoic acid
CID 134589387
2-methoxy-N-(oxetan-3-yl)-4-[(1-phenyl-1,2,4-triazol-3-yl)amino]benzamide
CID 134589815
[2-methoxy-4-[(1-phenyl-1,2,4-triazol-3-yl)amino]phenyl]-morpholin-4-ylmethanone
CID 134589705
N-(3,4-dimethoxyphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide
CID 15944274
1-phenyl-N-(3-propan-2-yloxyphenyl)-1,2,4-triazol-3-amine
CID 11770857
N-[3-methoxy-4-[(3R)-oxolan-3-yl]phenyl]-1-phenyl-1,2,4-triazol-3-amine
CID 134589468
N-methyl-1-phenyl-1,2,4-triazole-3-carboxamide
CID 139472699
4-[(1-phenyl-1,2,4-triazol-3-yl)amino]-2-propan-2-yloxybenzonitrile
CID 134589185
2-methyl-N-[3-methyl-5-[(1-phenyl-1,2,4-triazol-3-yl)amino]phenyl]propanamide
CID 134589530
N-(4-acetamidophenyl)-3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 29195602
1-(3-ethoxyphenyl)-N-(3-methoxyphenyl)-1,2,4-triazol-3-amine
CID 134605893
N-(3-cyclopropyloxyphenyl)-1-phenyl-1,2,4-triazol-3-amine
CID 134589560

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-methyl-5-[(1-phenyl-1,2,4-triazol-3-yl)amino]benzamide?
The IUPAC name of 2-methoxy-N-methyl-5-[(1-phenyl-1,2,4-triazol-3-yl)amino]benzamide (CID 134589371) is 2-methoxy-N-methyl-5-[(1-phenyl-1,2,4-triazol-3-yl)amino]benzamide.
What is the SMILES notation for 2-methoxy-N-methyl-5-[(1-phenyl-1,2,4-triazol-3-yl)amino]benzamide?
The canonical SMILES for 2-methoxy-N-methyl-5-[(1-phenyl-1,2,4-triazol-3-yl)amino]benzamide is CNC(=O)c1cc(Nc2ncn(-c3ccccc3)n2)ccc1OC.
What is the InChIKey of 2-methoxy-N-methyl-5-[(1-phenyl-1,2,4-triazol-3-yl)amino]benzamide?
The InChIKey is QFGHVDKMJYPYNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2/c1-18-16(23)14-10-12(8-9-15(14)24-2)20-17-19-11-22(21-17)13-6-4-3-5-7-13/h3-11H,1-2H3,(H,18,23)(H,20,21).
What are the key properties of 2-methoxy-N-methyl-5-[(1-phenyl-1,2,4-triazol-3-yl)amino]benzamide?
2-methoxy-N-methyl-5-[(1-phenyl-1,2,4-triazol-3-yl)amino]benzamide has a molecular weight of 323.36 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-methyl-5-[(1-phenyl-1,2,4-triazol-3-yl)amino]benzamide is sourced from PubChem (CID 134589371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).