N-[(3-hydroxyphenyl)methyl]-1,2,4-triazine-3-carboxamide

C11H10N4O2 — CID 155734185

IUPACN-[(3-hydroxyphenyl)methyl]-1,2,4-triazine-3-carboxamide
SMILESO=C(NCc1cccc(O)c1)c1nccnn1
InChIInChI=1S/C11H10N4O2/c16-9-3-1-2-8(6-9)7-13-11(17)10-12-4-5-14-15-10/h1-6,16H,7H2,(H,13,17)
InChIKeyIISBUNRHVXRNHC-UHFFFAOYSA-N
MW230.23 g/mol
LogP0.51
Rot. Bonds3

About N-[(3-hydroxyphenyl)methyl]-1,2,4-triazine-3-carboxamide

N-[(3-hydroxyphenyl)methyl]-1,2,4-triazine-3-carboxamide (PubChem CID 155734185) has the molecular formula C11H10N4O2 and a molecular weight of 230.23 g/mol. Its IUPAC name is N-[(3-hydroxyphenyl)methyl]-1,2,4-triazine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-hydroxyphenyl)methyl]-1,2,4-triazine-3-carboxamide
PubChem CID155734185
Molecular FormulaC11H10N4O2
Molecular Weight230.23 g/mol
Exact Mass230.08
IUPAC NameN-[(3-hydroxyphenyl)methyl]-1,2,4-triazine-3-carboxamide
SMILESO=C(NCc1cccc(O)c1)c1nccnn1
InChIInChI=1S/C11H10N4O2/c16-9-3-1-2-8(6-9)7-13-11(17)10-12-4-5-14-15-10/h1-6,16H,7H2,(H,13,17)
InChIKeyIISBUNRHVXRNHC-UHFFFAOYSA-N
XLogP0.51
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-hydroxyphenyl)methyl]pyridine-4-carboxamide
CID 47292120
3-bromo-N-[(3-hydroxyphenyl)methyl]pyridine-2-carboxamide
CID 107519523
N-[(3-hydroxyphenyl)methyl]quinoline-4-carboxamide
CID 112733916
N-[(3-hydroxyphenyl)methyl]-2,6-dimethylbenzamide
CID 103769243
3,4-dichloro-N-[(3-hydroxyphenyl)methyl]benzamide
CID 47292199
N-[(3-hydroxyphenyl)methyl]-5-methylthiophene-2-carboxamide
CID 47292096
2-(4-fluorophenyl)-N-[(3-hydroxyphenyl)methyl]acetamide
CID 47292141
N-[(3-hydroxyphenyl)methyl]-4-propan-2-ylbenzamide
CID 47292127
N-[(3-hydroxyphenyl)methyl]-2,4-dimethylbenzamide
CID 47292289
2,4-difluoro-N-[(3-hydroxyphenyl)methyl]benzamide
CID 47292194
2-(2,4-dihydroxyphenyl)-N-[(3-hydroxyphenyl)methyl]-1H-imidazole-5-carboxamide
CID 135487327
4-chloro-N-[(3-hydroxyphenyl)methyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 61017424

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxyphenyl)methyl]-1,2,4-triazine-3-carboxamide?
The IUPAC name of N-[(3-hydroxyphenyl)methyl]-1,2,4-triazine-3-carboxamide (CID 155734185) is N-[(3-hydroxyphenyl)methyl]-1,2,4-triazine-3-carboxamide.
What is the SMILES notation for N-[(3-hydroxyphenyl)methyl]-1,2,4-triazine-3-carboxamide?
The canonical SMILES for N-[(3-hydroxyphenyl)methyl]-1,2,4-triazine-3-carboxamide is O=C(NCc1cccc(O)c1)c1nccnn1.
What is the InChIKey of N-[(3-hydroxyphenyl)methyl]-1,2,4-triazine-3-carboxamide?
The InChIKey is IISBUNRHVXRNHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O2/c16-9-3-1-2-8(6-9)7-13-11(17)10-12-4-5-14-15-10/h1-6,16H,7H2,(H,13,17).
What are the key properties of N-[(3-hydroxyphenyl)methyl]-1,2,4-triazine-3-carboxamide?
N-[(3-hydroxyphenyl)methyl]-1,2,4-triazine-3-carboxamide has a molecular weight of 230.23 g/mol, XLogP of 0.51, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxyphenyl)methyl]-1,2,4-triazine-3-carboxamide is sourced from PubChem (CID 155734185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).