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

C10H10N4O2 — CID 6481021

IUPAC2-hydroxy-4-methyl-N-(1H-1,2,4-triazol-5-yl)benzamide
SMILESCc1ccc(C(=O)Nc2ncn[nH]2)c(O)c1
InChIInChI=1S/C10H10N4O2/c1-6-2-3-7(8(15)4-6)9(16)13-10-11-5-12-14-10/h2-5,15H,1H3,(H2,11,12,13,14,16)
InChIKeyUXKYYLAMPMDPHJ-UHFFFAOYSA-N
MW218.22 g/mol
LogP1.07
Rot. Bonds2

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

2-hydroxy-4-methyl-N-(1H-1,2,4-triazol-5-yl)benzamide (PubChem CID 6481021) has the molecular formula C10H10N4O2 and a molecular weight of 218.22 g/mol. Its IUPAC name is 2-hydroxy-4-methyl-N-(1H-1,2,4-triazol-5-yl)benzamide.

Molecular Properties

Compound Name2-hydroxy-4-methyl-N-(1H-1,2,4-triazol-5-yl)benzamide
PubChem CID6481021
Molecular FormulaC10H10N4O2
Molecular Weight218.22 g/mol
Exact Mass218.08
IUPAC Name2-hydroxy-4-methyl-N-(1H-1,2,4-triazol-5-yl)benzamide
SMILESCc1ccc(C(=O)Nc2ncn[nH]2)c(O)c1
InChIInChI=1S/C10H10N4O2/c1-6-2-3-7(8(15)4-6)9(16)13-10-11-5-12-14-10/h2-5,15H,1H3,(H2,11,12,13,14,16)
InChIKeyUXKYYLAMPMDPHJ-UHFFFAOYSA-N
XLogP1.07
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-methyl-N-(1H-1,2,4-triazol-5-yl)benzamide?
The IUPAC name of 2-hydroxy-4-methyl-N-(1H-1,2,4-triazol-5-yl)benzamide (CID 6481021) is 2-hydroxy-4-methyl-N-(1H-1,2,4-triazol-5-yl)benzamide.
What is the SMILES notation for 2-hydroxy-4-methyl-N-(1H-1,2,4-triazol-5-yl)benzamide?
The canonical SMILES for 2-hydroxy-4-methyl-N-(1H-1,2,4-triazol-5-yl)benzamide is Cc1ccc(C(=O)Nc2ncn[nH]2)c(O)c1.
What is the InChIKey of 2-hydroxy-4-methyl-N-(1H-1,2,4-triazol-5-yl)benzamide?
The InChIKey is UXKYYLAMPMDPHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2/c1-6-2-3-7(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-methyl-N-(1H-1,2,4-triazol-5-yl)benzamide?
2-hydroxy-4-methyl-N-(1H-1,2,4-triazol-5-yl)benzamide has a molecular weight of 218.22 g/mol, XLogP of 1.07, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-methyl-N-(1H-1,2,4-triazol-5-yl)benzamide is sourced from PubChem (CID 6481021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).