4-[[4-[4-(dimethylamino)phenyl]triazol-1-yl]methyl]-N-hydroxybenzamide

C18H19N5O2 — CID 87527968

IUPAC4-[[4-[4-(dimethylamino)phenyl]triazol-1-yl]methyl]-N-hydroxybenzamide
SMILESCN(C)c1ccc(-c2cn(Cc3ccc(C(=O)NO)cc3)nn2)cc1
InChIInChI=1S/C18H19N5O2/c1-22(2)16-9-7-14(8-10-16)17-12-23(21-19-17)11-13-3-5-15(6-4-13)18(24)20-25/h3-10,12,25H,11H2,1-2H3,(H,20,24)
InChIKeyPJQJUWIJGOKYSC-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.18
Rot. Bonds5

About 4-[[4-[4-(dimethylamino)phenyl]triazol-1-yl]methyl]-N-hydroxybenzamide

4-[[4-[4-(dimethylamino)phenyl]triazol-1-yl]methyl]-N-hydroxybenzamide (PubChem CID 87527968) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 4-[[4-[4-(dimethylamino)phenyl]triazol-1-yl]methyl]-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[[4-[4-(dimethylamino)phenyl]triazol-1-yl]methyl]-N-hydroxybenzamide
PubChem CID87527968
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name4-[[4-[4-(dimethylamino)phenyl]triazol-1-yl]methyl]-N-hydroxybenzamide
SMILESCN(C)c1ccc(-c2cn(Cc3ccc(C(=O)NO)cc3)nn2)cc1
InChIInChI=1S/C18H19N5O2/c1-22(2)16-9-7-14(8-10-16)17-12-23(21-19-17)11-13-3-5-15(6-4-13)18(24)20-25/h3-10,12,25H,11H2,1-2H3,(H,20,24)
InChIKeyPJQJUWIJGOKYSC-UHFFFAOYSA-N
XLogP2.18
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-[4-(dimethylamino)phenyl]triazol-1-yl]methyl]-N-hydroxybenzamide?
The IUPAC name of 4-[[4-[4-(dimethylamino)phenyl]triazol-1-yl]methyl]-N-hydroxybenzamide (CID 87527968) is 4-[[4-[4-(dimethylamino)phenyl]triazol-1-yl]methyl]-N-hydroxybenzamide.
What is the SMILES notation for 4-[[4-[4-(dimethylamino)phenyl]triazol-1-yl]methyl]-N-hydroxybenzamide?
The canonical SMILES for 4-[[4-[4-(dimethylamino)phenyl]triazol-1-yl]methyl]-N-hydroxybenzamide is CN(C)c1ccc(-c2cn(Cc3ccc(C(=O)NO)cc3)nn2)cc1.
What is the InChIKey of 4-[[4-[4-(dimethylamino)phenyl]triazol-1-yl]methyl]-N-hydroxybenzamide?
The InChIKey is PJQJUWIJGOKYSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-22(2)16-9-7-14(8-10-16)17-12-23(21-19-17)11-13-3-5-15(6-4-13)18(24)20-25/h3-10,12,25H,11H2,1-2H3,(H,20,24).
What are the key properties of 4-[[4-[4-(dimethylamino)phenyl]triazol-1-yl]methyl]-N-hydroxybenzamide?
4-[[4-[4-(dimethylamino)phenyl]triazol-1-yl]methyl]-N-hydroxybenzamide has a molecular weight of 337.38 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[4-(dimethylamino)phenyl]triazol-1-yl]methyl]-N-hydroxybenzamide is sourced from PubChem (CID 87527968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).