3-(2,4-dihydroxyphenyl)-1H-1,2,4-triazole-5-carboxamide

C9H8N4O3 — CID 175704846

IUPAC3-(2,4-dihydroxyphenyl)-1H-1,2,4-triazole-5-carboxamide
SMILESNC(=O)c1nc(-c2ccc(O)cc2O)n[nH]1
InChIInChI=1S/C9H8N4O3/c10-7(16)9-11-8(12-13-9)5-2-1-4(14)3-6(5)15/h1-3,14-15H,(H2,10,16)(H,11,12,13)
InChIKeyNWLQEPWIXOGISS-UHFFFAOYSA-N
MW220.19 g/mol
LogP-0.02
Rot. Bonds2

About 3-(2,4-dihydroxyphenyl)-1H-1,2,4-triazole-5-carboxamide

3-(2,4-dihydroxyphenyl)-1H-1,2,4-triazole-5-carboxamide (PubChem CID 175704846) has the molecular formula C9H8N4O3 and a molecular weight of 220.19 g/mol. Its IUPAC name is 3-(2,4-dihydroxyphenyl)-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound Name3-(2,4-dihydroxyphenyl)-1H-1,2,4-triazole-5-carboxamide
PubChem CID175704846
Molecular FormulaC9H8N4O3
Molecular Weight220.19 g/mol
Exact Mass220.06
IUPAC Name3-(2,4-dihydroxyphenyl)-1H-1,2,4-triazole-5-carboxamide
SMILESNC(=O)c1nc(-c2ccc(O)cc2O)n[nH]1
InChIInChI=1S/C9H8N4O3/c10-7(16)9-11-8(12-13-9)5-2-1-4(14)3-6(5)15/h1-3,14-15H,(H2,10,16)(H,11,12,13)
InChIKeyNWLQEPWIXOGISS-UHFFFAOYSA-N
XLogP-0.02
TPSA125.12 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.19
LogP ≤ 5-0.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dihydroxyphenyl)-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of 3-(2,4-dihydroxyphenyl)-1H-1,2,4-triazole-5-carboxamide (CID 175704846) is 3-(2,4-dihydroxyphenyl)-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for 3-(2,4-dihydroxyphenyl)-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for 3-(2,4-dihydroxyphenyl)-1H-1,2,4-triazole-5-carboxamide is NC(=O)c1nc(-c2ccc(O)cc2O)n[nH]1.
What is the InChIKey of 3-(2,4-dihydroxyphenyl)-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is NWLQEPWIXOGISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O3/c10-7(16)9-11-8(12-13-9)5-2-1-4(14)3-6(5)15/h1-3,14-15H,(H2,10,16)(H,11,12,13).
What are the key properties of 3-(2,4-dihydroxyphenyl)-1H-1,2,4-triazole-5-carboxamide?
3-(2,4-dihydroxyphenyl)-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 220.19 g/mol, XLogP of -0.02, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dihydroxyphenyl)-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 175704846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).