2-hydroxy-4-methoxy-N-(1H-1,2,4-triazol-5-yl)benzamide

C10H10N4O3 — CID 6481027

IUPAC2-hydroxy-4-methoxy-N-(1H-1,2,4-triazol-5-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2ncn[nH]2)c(O)c1
InChIInChI=1S/C10H10N4O3/c1-17-6-2-3-7(8(15)4-6)9(16)13-10-11-5-12-14-10/h2-5,15H,1H3,(H2,11,12,13,14,16)
InChIKeyPFBCMGQBSJUWFM-UHFFFAOYSA-N
MW234.22 g/mol
LogP0.77
Rot. Bonds3

About 2-hydroxy-4-methoxy-N-(1H-1,2,4-triazol-5-yl)benzamide

2-hydroxy-4-methoxy-N-(1H-1,2,4-triazol-5-yl)benzamide (PubChem CID 6481027) has the molecular formula C10H10N4O3 and a molecular weight of 234.22 g/mol. Its IUPAC name is 2-hydroxy-4-methoxy-N-(1H-1,2,4-triazol-5-yl)benzamide.

Molecular Properties

Compound Name2-hydroxy-4-methoxy-N-(1H-1,2,4-triazol-5-yl)benzamide
PubChem CID6481027
Molecular FormulaC10H10N4O3
Molecular Weight234.22 g/mol
Exact Mass234.08
IUPAC Name2-hydroxy-4-methoxy-N-(1H-1,2,4-triazol-5-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2ncn[nH]2)c(O)c1
InChIInChI=1S/C10H10N4O3/c1-17-6-2-3-7(8(15)4-6)9(16)13-10-11-5-12-14-10/h2-5,15H,1H3,(H2,11,12,13,14,16)
InChIKeyPFBCMGQBSJUWFM-UHFFFAOYSA-N
XLogP0.77
TPSA100.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-methoxy-N-(1H-1,2,4-triazol-5-yl)benzamide?
The IUPAC name of 2-hydroxy-4-methoxy-N-(1H-1,2,4-triazol-5-yl)benzamide (CID 6481027) is 2-hydroxy-4-methoxy-N-(1H-1,2,4-triazol-5-yl)benzamide.
What is the SMILES notation for 2-hydroxy-4-methoxy-N-(1H-1,2,4-triazol-5-yl)benzamide?
The canonical SMILES for 2-hydroxy-4-methoxy-N-(1H-1,2,4-triazol-5-yl)benzamide is COc1ccc(C(=O)Nc2ncn[nH]2)c(O)c1.
What is the InChIKey of 2-hydroxy-4-methoxy-N-(1H-1,2,4-triazol-5-yl)benzamide?
The InChIKey is PFBCMGQBSJUWFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O3/c1-17-6-2-3-7(8(15)4-6)9(16)13-10-11-5-12-14-10/h2-5,15H,1H3,(H2,11,12,13,14,16).
What are the key properties of 2-hydroxy-4-methoxy-N-(1H-1,2,4-triazol-5-yl)benzamide?
2-hydroxy-4-methoxy-N-(1H-1,2,4-triazol-5-yl)benzamide has a molecular weight of 234.22 g/mol, XLogP of 0.77, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-methoxy-N-(1H-1,2,4-triazol-5-yl)benzamide is sourced from PubChem (CID 6481027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).