6-methyl-2-oxo-5-[4-(1H-1,2,4-triazol-5-yl)phenyl]-1H-pyridine-3-carbonitrile

C15H11N5O — CID 70506016

IUPAC6-methyl-2-oxo-5-[4-(1H-1,2,4-triazol-5-yl)phenyl]-1H-pyridine-3-carbonitrile
SMILESCc1[nH]c(=O)c(C#N)cc1-c1ccc(-c2ncn[nH]2)cc1
InChIInChI=1S/C15H11N5O/c1-9-13(6-12(7-16)15(21)19-9)10-2-4-11(5-3-10)14-17-8-18-20-14/h2-6,8H,1H3,(H,19,21)(H,17,18,20)
InChIKeyDEZKONBYIITNRL-UHFFFAOYSA-N
MW277.29 g/mol
LogP2.01
Rot. Bonds2

About 6-methyl-2-oxo-5-[4-(1H-1,2,4-triazol-5-yl)phenyl]-1H-pyridine-3-carbonitrile

6-methyl-2-oxo-5-[4-(1H-1,2,4-triazol-5-yl)phenyl]-1H-pyridine-3-carbonitrile (PubChem CID 70506016) has the molecular formula C15H11N5O and a molecular weight of 277.29 g/mol. Its IUPAC name is 6-methyl-2-oxo-5-[4-(1H-1,2,4-triazol-5-yl)phenyl]-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-methyl-2-oxo-5-[4-(1H-1,2,4-triazol-5-yl)phenyl]-1H-pyridine-3-carbonitrile
PubChem CID70506016
Molecular FormulaC15H11N5O
Molecular Weight277.29 g/mol
Exact Mass277.10
IUPAC Name6-methyl-2-oxo-5-[4-(1H-1,2,4-triazol-5-yl)phenyl]-1H-pyridine-3-carbonitrile
SMILESCc1[nH]c(=O)c(C#N)cc1-c1ccc(-c2ncn[nH]2)cc1
InChIInChI=1S/C15H11N5O/c1-9-13(6-12(7-16)15(21)19-9)10-2-4-11(5-3-10)14-17-8-18-20-14/h2-6,8H,1H3,(H,19,21)(H,17,18,20)
InChIKeyDEZKONBYIITNRL-UHFFFAOYSA-N
XLogP2.01
TPSA98.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-oxo-5-[4-(1H-1,2,4-triazol-5-yl)phenyl]-1H-pyridine-3-carbonitrile?
The IUPAC name of 6-methyl-2-oxo-5-[4-(1H-1,2,4-triazol-5-yl)phenyl]-1H-pyridine-3-carbonitrile (CID 70506016) is 6-methyl-2-oxo-5-[4-(1H-1,2,4-triazol-5-yl)phenyl]-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 6-methyl-2-oxo-5-[4-(1H-1,2,4-triazol-5-yl)phenyl]-1H-pyridine-3-carbonitrile?
The canonical SMILES for 6-methyl-2-oxo-5-[4-(1H-1,2,4-triazol-5-yl)phenyl]-1H-pyridine-3-carbonitrile is Cc1[nH]c(=O)c(C#N)cc1-c1ccc(-c2ncn[nH]2)cc1.
What is the InChIKey of 6-methyl-2-oxo-5-[4-(1H-1,2,4-triazol-5-yl)phenyl]-1H-pyridine-3-carbonitrile?
The InChIKey is DEZKONBYIITNRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N5O/c1-9-13(6-12(7-16)15(21)19-9)10-2-4-11(5-3-10)14-17-8-18-20-14/h2-6,8H,1H3,(H,19,21)(H,17,18,20).
What are the key properties of 6-methyl-2-oxo-5-[4-(1H-1,2,4-triazol-5-yl)phenyl]-1H-pyridine-3-carbonitrile?
6-methyl-2-oxo-5-[4-(1H-1,2,4-triazol-5-yl)phenyl]-1H-pyridine-3-carbonitrile has a molecular weight of 277.29 g/mol, XLogP of 2.01, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-oxo-5-[4-(1H-1,2,4-triazol-5-yl)phenyl]-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 70506016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).