2-(2-hydroxyphenyl)-7-methylidene-N-octylimidazo[1,5-b][1,2,4]triazole-5-carboxamide

C20H25N5O2 — CID 135972573

IUPAC2-(2-hydroxyphenyl)-7-methylidene-N-octylimidazo[1,5-b][1,2,4]triazole-5-carboxamide
SMILESC=c1nc(C(=O)NCCCCCCCC)n2nc(-c3ccccc3O)nc12
InChIInChI=1S/C20H25N5O2/c1-3-4-5-6-7-10-13-21-20(27)19-22-14(2)18-23-17(24-25(18)19)15-11-8-9-12-16(15)26/h8-9,11-12,26H,2-7,10,13H2,1H3,(H,21,27)
InChIKeyWIKISUQDPMAWGF-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.72
Rot. Bonds9

About 2-(2-hydroxyphenyl)-7-methylidene-N-octylimidazo[1,5-b][1,2,4]triazole-5-carboxamide

2-(2-hydroxyphenyl)-7-methylidene-N-octylimidazo[1,5-b][1,2,4]triazole-5-carboxamide (PubChem CID 135972573) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is 2-(2-hydroxyphenyl)-7-methylidene-N-octylimidazo[1,5-b][1,2,4]triazole-5-carboxamide.

Molecular Properties

Compound Name2-(2-hydroxyphenyl)-7-methylidene-N-octylimidazo[1,5-b][1,2,4]triazole-5-carboxamide
PubChem CID135972573
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Name2-(2-hydroxyphenyl)-7-methylidene-N-octylimidazo[1,5-b][1,2,4]triazole-5-carboxamide
SMILESC=c1nc(C(=O)NCCCCCCCC)n2nc(-c3ccccc3O)nc12
InChIInChI=1S/C20H25N5O2/c1-3-4-5-6-7-10-13-21-20(27)19-22-14(2)18-23-17(24-25(18)19)15-11-8-9-12-16(15)26/h8-9,11-12,26H,2-7,10,13H2,1H3,(H,21,27)
InChIKeyWIKISUQDPMAWGF-UHFFFAOYSA-N
XLogP2.72
TPSA92.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 3423732
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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyphenyl)-7-methylidene-N-octylimidazo[1,5-b][1,2,4]triazole-5-carboxamide?
The IUPAC name of 2-(2-hydroxyphenyl)-7-methylidene-N-octylimidazo[1,5-b][1,2,4]triazole-5-carboxamide (CID 135972573) is 2-(2-hydroxyphenyl)-7-methylidene-N-octylimidazo[1,5-b][1,2,4]triazole-5-carboxamide.
What is the SMILES notation for 2-(2-hydroxyphenyl)-7-methylidene-N-octylimidazo[1,5-b][1,2,4]triazole-5-carboxamide?
The canonical SMILES for 2-(2-hydroxyphenyl)-7-methylidene-N-octylimidazo[1,5-b][1,2,4]triazole-5-carboxamide is C=c1nc(C(=O)NCCCCCCCC)n2nc(-c3ccccc3O)nc12.
What is the InChIKey of 2-(2-hydroxyphenyl)-7-methylidene-N-octylimidazo[1,5-b][1,2,4]triazole-5-carboxamide?
The InChIKey is WIKISUQDPMAWGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-3-4-5-6-7-10-13-21-20(27)19-22-14(2)18-23-17(24-25(18)19)15-11-8-9-12-16(15)26/h8-9,11-12,26H,2-7,10,13H2,1H3,(H,21,27).
What are the key properties of 2-(2-hydroxyphenyl)-7-methylidene-N-octylimidazo[1,5-b][1,2,4]triazole-5-carboxamide?
2-(2-hydroxyphenyl)-7-methylidene-N-octylimidazo[1,5-b][1,2,4]triazole-5-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 2.72, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyphenyl)-7-methylidene-N-octylimidazo[1,5-b][1,2,4]triazole-5-carboxamide is sourced from PubChem (CID 135972573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).