N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-hydroxybenzamide

C12H12N4O2 — CID 114388178

IUPACN-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-hydroxybenzamide
SMILESCc1nnc(NC(=O)c2ccc(O)cc2)nc1C
InChIInChI=1S/C12H12N4O2/c1-7-8(2)15-16-12(13-7)14-11(18)9-3-5-10(17)6-4-9/h3-6,17H,1-2H3,(H,13,14,16,18)
InChIKeyADGZYYVQICXDBQ-UHFFFAOYSA-N
MW244.25 g/mol
LogP1.45
Rot. Bonds2

About N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-hydroxybenzamide

N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-hydroxybenzamide (PubChem CID 114388178) has the molecular formula C12H12N4O2 and a molecular weight of 244.25 g/mol. Its IUPAC name is N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-hydroxybenzamide.

Molecular Properties

Compound NameN-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-hydroxybenzamide
PubChem CID114388178
Molecular FormulaC12H12N4O2
Molecular Weight244.25 g/mol
Exact Mass244.10
IUPAC NameN-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-hydroxybenzamide
SMILESCc1nnc(NC(=O)c2ccc(O)cc2)nc1C
InChIInChI=1S/C12H12N4O2/c1-7-8(2)15-16-12(13-7)14-11(18)9-3-5-10(17)6-4-9/h3-6,17H,1-2H3,(H,13,14,16,18)
InChIKeyADGZYYVQICXDBQ-UHFFFAOYSA-N
XLogP1.45
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-hydroxybenzamide?
The IUPAC name of N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-hydroxybenzamide (CID 114388178) is N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-hydroxybenzamide.
What is the SMILES notation for N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-hydroxybenzamide?
The canonical SMILES for N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-hydroxybenzamide is Cc1nnc(NC(=O)c2ccc(O)cc2)nc1C.
What is the InChIKey of N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-hydroxybenzamide?
The InChIKey is ADGZYYVQICXDBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2/c1-7-8(2)15-16-12(13-7)14-11(18)9-3-5-10(17)6-4-9/h3-6,17H,1-2H3,(H,13,14,16,18).
What are the key properties of N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-hydroxybenzamide?
N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-hydroxybenzamide has a molecular weight of 244.25 g/mol, XLogP of 1.45, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-hydroxybenzamide is sourced from PubChem (CID 114388178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).