N,1-dimethyl-2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-4-carboxamide

C11H13N5O2 — CID 64510133

IUPACN,1-dimethyl-2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-4-carboxamide
SMILESCN(Cc1ncn[nH]1)C(=O)c1ccn(C)c(=O)c1
InChIInChI=1S/C11H13N5O2/c1-15-4-3-8(5-10(15)17)11(18)16(2)6-9-12-7-13-14-9/h3-5,7H,6H2,1-2H3,(H,12,13,14)
InChIKeyRFUYLZASRIMEEH-UHFFFAOYSA-N
MW247.26 g/mol
LogP-0.22
Rot. Bonds3

About N,1-dimethyl-2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-4-carboxamide

N,1-dimethyl-2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-4-carboxamide (PubChem CID 64510133) has the molecular formula C11H13N5O2 and a molecular weight of 247.26 g/mol. Its IUPAC name is N,1-dimethyl-2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN,1-dimethyl-2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-4-carboxamide
PubChem CID64510133
Molecular FormulaC11H13N5O2
Molecular Weight247.26 g/mol
Exact Mass247.11
IUPAC NameN,1-dimethyl-2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-4-carboxamide
SMILESCN(Cc1ncn[nH]1)C(=O)c1ccn(C)c(=O)c1
InChIInChI=1S/C11H13N5O2/c1-15-4-3-8(5-10(15)17)11(18)16(2)6-9-12-7-13-14-9/h3-5,7H,6H2,1-2H3,(H,12,13,14)
InChIKeyRFUYLZASRIMEEH-UHFFFAOYSA-N
XLogP-0.22
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-4-carboxamide?
The IUPAC name of N,1-dimethyl-2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-4-carboxamide (CID 64510133) is N,1-dimethyl-2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-4-carboxamide.
What is the SMILES notation for N,1-dimethyl-2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-4-carboxamide?
The canonical SMILES for N,1-dimethyl-2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-4-carboxamide is CN(Cc1ncn[nH]1)C(=O)c1ccn(C)c(=O)c1.
What is the InChIKey of N,1-dimethyl-2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-4-carboxamide?
The InChIKey is RFUYLZASRIMEEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2/c1-15-4-3-8(5-10(15)17)11(18)16(2)6-9-12-7-13-14-9/h3-5,7H,6H2,1-2H3,(H,12,13,14).
What are the key properties of N,1-dimethyl-2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-4-carboxamide?
N,1-dimethyl-2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-4-carboxamide has a molecular weight of 247.26 g/mol, XLogP of -0.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-4-carboxamide is sourced from PubChem (CID 64510133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).