5-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine-2-carbonitrile

C16H20N6 — CID 86783726

IUPAC5-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine-2-carbonitrile
SMILESCC(C)n1cnnc1C1CCN(c2ccc(C#N)nc2)CC1
InChIInChI=1S/C16H20N6/c1-12(2)22-11-19-20-16(22)13-5-7-21(8-6-13)15-4-3-14(9-17)18-10-15/h3-4,10-13H,5-8H2,1-2H3
InChIKeyCMNYUIBQCXRZMW-UHFFFAOYSA-N
MW296.38 g/mol
LogP2.51
Rot. Bonds3

About 5-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine-2-carbonitrile

5-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine-2-carbonitrile (PubChem CID 86783726) has the molecular formula C16H20N6 and a molecular weight of 296.38 g/mol. Its IUPAC name is 5-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine-2-carbonitrile
PubChem CID86783726
Molecular FormulaC16H20N6
Molecular Weight296.38 g/mol
Exact Mass296.17
IUPAC Name5-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine-2-carbonitrile
SMILESCC(C)n1cnnc1C1CCN(c2ccc(C#N)nc2)CC1
InChIInChI=1S/C16H20N6/c1-12(2)22-11-19-20-16(22)13-5-7-21(8-6-13)15-4-3-14(9-17)18-10-15/h3-4,10-13H,5-8H2,1-2H3
InChIKeyCMNYUIBQCXRZMW-UHFFFAOYSA-N
XLogP2.51
TPSA70.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.38
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4-methylpiperidin-1-yl)pyridine-2-carbonitrile
CID 79839657
5-(4-propan-2-ylpiperazin-1-yl)pyridine-2-carbonitrile
CID 79839573
5-[4-(2-aminoethyl)piperidin-1-yl]pyridine-2-carbonitrile
CID 115490407
3-nitro-2-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine-4-carbonitrile
CID 75517737
5-[3-(1-aminoethyl)piperidin-1-yl]pyridine-2-carbonitrile
CID 115490405
5-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyridine-2-carbonitrile
CID 86782075
3-cyclobutyl-4-propan-2-yl-1,2,4-triazole
CID 115393971
5-(4,4-dimethylazepan-1-yl)pyridine-2-carbonitrile
CID 79839803
fluoromethane;5-(4-piperidin-1-ylpiperidin-1-yl)pyridine-2-carbonitrile
CID 169148651
5-[4-[(2R)-2-methylmorpholin-4-yl]piperidin-1-yl]pyridine-2-carbonitrile
CID 97119042
5-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]pyridine-2-carbonitrile
CID 133475245
5-(3,5-dimethylpiperidin-1-yl)pyridine-2-carbonitrile
CID 79839099

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine-2-carbonitrile?
The IUPAC name of 5-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine-2-carbonitrile (CID 86783726) is 5-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine-2-carbonitrile?
The canonical SMILES for 5-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine-2-carbonitrile is CC(C)n1cnnc1C1CCN(c2ccc(C#N)nc2)CC1.
What is the InChIKey of 5-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine-2-carbonitrile?
The InChIKey is CMNYUIBQCXRZMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6/c1-12(2)22-11-19-20-16(22)13-5-7-21(8-6-13)15-4-3-14(9-17)18-10-15/h3-4,10-13H,5-8H2,1-2H3.
What are the key properties of 5-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine-2-carbonitrile?
5-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine-2-carbonitrile has a molecular weight of 296.38 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 86783726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).