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

C14H16N6O — CID 137203036

IUPAC6-methyl-4-[3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine-3-carbonitrile
SMILESCc1cc(N2CCCC(c3n[nH]c(=O)[nH]3)C2)c(C#N)cn1
InChIInChI=1S/C14H16N6O/c1-9-5-12(11(6-15)7-16-9)20-4-2-3-10(8-20)13-17-14(21)19-18-13/h5,7,10H,2-4,8H2,1H3,(H2,17,18,19,21)
InChIKeyXUXGGMYKOKSNRQ-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.06
Rot. Bonds2

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

6-methyl-4-[3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine-3-carbonitrile (PubChem CID 137203036) has the molecular formula C14H16N6O and a molecular weight of 284.32 g/mol. Its IUPAC name is 6-methyl-4-[3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-methyl-4-[3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine-3-carbonitrile
PubChem CID137203036
Molecular FormulaC14H16N6O
Molecular Weight284.32 g/mol
Exact Mass284.14
IUPAC Name6-methyl-4-[3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine-3-carbonitrile
SMILESCc1cc(N2CCCC(c3n[nH]c(=O)[nH]3)C2)c(C#N)cn1
InChIInChI=1S/C14H16N6O/c1-9-5-12(11(6-15)7-16-9)20-4-2-3-10(8-20)13-17-14(21)19-18-13/h5,7,10H,2-4,8H2,1H3,(H2,17,18,19,21)
InChIKeyXUXGGMYKOKSNRQ-UHFFFAOYSA-N
XLogP1.06
TPSA101.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-[3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 6-methyl-4-[3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine-3-carbonitrile (CID 137203036) is 6-methyl-4-[3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-methyl-4-[3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 6-methyl-4-[3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine-3-carbonitrile is Cc1cc(N2CCCC(c3n[nH]c(=O)[nH]3)C2)c(C#N)cn1.
What is the InChIKey of 6-methyl-4-[3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine-3-carbonitrile?
The InChIKey is XUXGGMYKOKSNRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O/c1-9-5-12(11(6-15)7-16-9)20-4-2-3-10(8-20)13-17-14(21)19-18-13/h5,7,10H,2-4,8H2,1H3,(H2,17,18,19,21).
What are the key properties of 6-methyl-4-[3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine-3-carbonitrile?
6-methyl-4-[3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine-3-carbonitrile has a molecular weight of 284.32 g/mol, XLogP of 1.06, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-[3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 137203036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).