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

C17H20N6O — CID 163343768

IUPAC6-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine-3-carbonitrile
SMILESCn1nc(C2CCN(c3ccc(C#N)cn3)CC2)n(C2CC2)c1=O
InChIInChI=1S/C17H20N6O/c1-21-17(24)23(14-3-4-14)16(20-21)13-6-8-22(9-7-13)15-5-2-12(10-18)11-19-15/h2,5,11,13-14H,3-4,6-9H2,1H3
InChIKeyGRECHDUEUJVXDE-UHFFFAOYSA-N
MW324.39 g/mol
LogP1.57
Rot. Bonds3

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

6-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine-3-carbonitrile (PubChem CID 163343768) has the molecular formula C17H20N6O and a molecular weight of 324.39 g/mol. Its IUPAC name is 6-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine-3-carbonitrile
PubChem CID163343768
Molecular FormulaC17H20N6O
Molecular Weight324.39 g/mol
Exact Mass324.17
IUPAC Name6-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine-3-carbonitrile
SMILESCn1nc(C2CCN(c3ccc(C#N)cn3)CC2)n(C2CC2)c1=O
InChIInChI=1S/C17H20N6O/c1-21-17(24)23(14-3-4-14)16(20-21)13-6-8-22(9-7-13)15-5-2-12(10-18)11-19-15/h2,5,11,13-14H,3-4,6-9H2,1H3
InChIKeyGRECHDUEUJVXDE-UHFFFAOYSA-N
XLogP1.57
TPSA79.74 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine-3-carbonitrile with MolForge

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Related Compounds

5-chloro-6-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine-3-carbonitrile
CID 163343448
6-(4-propan-2-ylpiperidin-1-yl)pyridine-3-carbonitrile
CID 58431342
6-[4-(dimethylamino)piperidin-1-yl]pyridine-3-carbonitrile
CID 43430337
6-[4-(1-methyl-2,3-dioxopyrido[2,3-b]pyrazin-4-yl)piperidin-1-yl]pyridine-3-carbonitrile
CID 175956763
1-(5-cyano-2-pyridinyl)-N-methylpiperidine-4-carboxamide
CID 47135971
fluoromethane;6-(4-pyrrolidin-1-ylpiperidin-1-yl)pyridine-3-carbonitrile
CID 169148538
6-(4-methylazepan-1-yl)pyridine-3-carbonitrile
CID 62045126
6-(3-propan-2-ylpyrrolidin-1-yl)pyridine-3-carbonitrile
CID 112698394
1-(5-cyano-2-pyridinyl)-N,N-dimethylpiperidine-4-carboxamide
CID 51300981
6-[4-(5-chloro-2-pyridinyl)piperidin-1-yl]pyridine-3-carbonitrile
CID 136574445
6-(4-piperidin-4-yloxypiperidin-1-yl)pyridine-3-carbonitrile
CID 69354590
6-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-3-carbonitrile
CID 72852375

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 6-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine-3-carbonitrile (CID 163343768) is 6-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine-3-carbonitrile is Cn1nc(C2CCN(c3ccc(C#N)cn3)CC2)n(C2CC2)c1=O.
What is the InChIKey of 6-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine-3-carbonitrile?
The InChIKey is GRECHDUEUJVXDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O/c1-21-17(24)23(14-3-4-14)16(20-21)13-6-8-22(9-7-13)15-5-2-12(10-18)11-19-15/h2,5,11,13-14H,3-4,6-9H2,1H3.
What are the key properties of 6-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine-3-carbonitrile?
6-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine-3-carbonitrile has a molecular weight of 324.39 g/mol, XLogP of 1.57, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 163343768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).