5-hydroxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-2-carboxamide

C11H13N5O2 — CID 90648293

IUPAC5-hydroxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-2-carboxamide
SMILESCC(NC(=O)c1ccc(O)cn1)c1nncn1C
InChIInChI=1S/C11H13N5O2/c1-7(10-15-13-6-16(10)2)14-11(18)9-4-3-8(17)5-12-9/h3-7,17H,1-2H3,(H,14,18)
InChIKeyVVECDJQGJXJSKD-UHFFFAOYSA-N
MW247.26 g/mol
LogP0.41
Rot. Bonds3

About 5-hydroxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-2-carboxamide

5-hydroxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-2-carboxamide (PubChem CID 90648293) has the molecular formula C11H13N5O2 and a molecular weight of 247.26 g/mol. Its IUPAC name is 5-hydroxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-hydroxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-2-carboxamide
PubChem CID90648293
Molecular FormulaC11H13N5O2
Molecular Weight247.26 g/mol
Exact Mass247.11
IUPAC Name5-hydroxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-2-carboxamide
SMILESCC(NC(=O)c1ccc(O)cn1)c1nncn1C
InChIInChI=1S/C11H13N5O2/c1-7(10-15-13-6-16(10)2)14-11(18)9-4-3-8(17)5-12-9/h3-7,17H,1-2H3,(H,14,18)
InChIKeyVVECDJQGJXJSKD-UHFFFAOYSA-N
XLogP0.41
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-2-carboxamide?
The IUPAC name of 5-hydroxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-2-carboxamide (CID 90648293) is 5-hydroxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-hydroxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-2-carboxamide?
The canonical SMILES for 5-hydroxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-2-carboxamide is CC(NC(=O)c1ccc(O)cn1)c1nncn1C.
What is the InChIKey of 5-hydroxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-2-carboxamide?
The InChIKey is VVECDJQGJXJSKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2/c1-7(10-15-13-6-16(10)2)14-11(18)9-4-3-8(17)5-12-9/h3-7,17H,1-2H3,(H,14,18).
What are the key properties of 5-hydroxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-2-carboxamide?
5-hydroxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-2-carboxamide has a molecular weight of 247.26 g/mol, XLogP of 0.41, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 90648293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).