3-[4-(4-butyltriazol-1-yl)piperidin-1-yl]pyrazine-2-carbonitrile

C16H21N7 — CID 29154132

IUPAC3-[4-(4-butyltriazol-1-yl)piperidin-1-yl]pyrazine-2-carbonitrile
SMILESCCCCc1cn(C2CCN(c3nccnc3C#N)CC2)nn1
InChIInChI=1S/C16H21N7/c1-2-3-4-13-12-23(21-20-13)14-5-9-22(10-6-14)16-15(11-17)18-7-8-19-16/h7-8,12,14H,2-6,9-10H2,1H3
InChIKeyLIQZISAYHVBCDW-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.12
Rot. Bonds5

About 3-[4-(4-butyltriazol-1-yl)piperidin-1-yl]pyrazine-2-carbonitrile

3-[4-(4-butyltriazol-1-yl)piperidin-1-yl]pyrazine-2-carbonitrile (PubChem CID 29154132) has the molecular formula C16H21N7 and a molecular weight of 311.39 g/mol. Its IUPAC name is 3-[4-(4-butyltriazol-1-yl)piperidin-1-yl]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[4-(4-butyltriazol-1-yl)piperidin-1-yl]pyrazine-2-carbonitrile
PubChem CID29154132
Molecular FormulaC16H21N7
Molecular Weight311.39 g/mol
Exact Mass311.19
IUPAC Name3-[4-(4-butyltriazol-1-yl)piperidin-1-yl]pyrazine-2-carbonitrile
SMILESCCCCc1cn(C2CCN(c3nccnc3C#N)CC2)nn1
InChIInChI=1S/C16H21N7/c1-2-3-4-13-12-23(21-20-13)14-5-9-22(10-6-14)16-15(11-17)18-7-8-19-16/h7-8,12,14H,2-6,9-10H2,1H3
InChIKeyLIQZISAYHVBCDW-UHFFFAOYSA-N
XLogP2.12
TPSA83.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-[4-(4-butyltriazol-1-yl)piperidin-1-yl]pyrazine-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1-Pyrazin-2-ylpyrrolidin-2-yl)pyrazine
CID 110269258
2-Propyl-6-(tetrazol-1-yl)pyrazine
CID 130450815
butane;6-butan-2-yl-N,N-diethylpyrazin-2-amine;2-butan-2-yl-6-pyrrolidin-1-ylpyrazine;ethane
CID 144514729
2-butan-2-yl-6-pyrrolidin-1-ylpyrazine;N,N-diethyl-6-methylpyrazin-2-amine;ethane
CID 144752664
2-(1-Propan-2-ylpiperidin-4-yl)-6-pyrrolidin-1-ylpyrazine
CID 170687922
2-Propan-2-yl-6-[3-(2-pyrazin-2-ylpropyl)pyrrolidin-1-yl]pyrazine
CID 174337920
2-{4-[(4-cyclopropyl-1H-1,2,3-triazol-1-yl)methyl]-1-piperidinyl}pyrazine
CID 30853645
2-[4-[4-[[(2R,6S)-2,6-dimethylpiperidin-1-yl]methyl]triazol-1-yl]piperidin-1-yl]pyrazine
CID 31161132
6-[(2R)-1-methylpyrrolidin-2-yl]-N-pyrazin-2-ylpyrazin-2-amine
CID 95836140
6-[(2S)-1-methylpyrrolidin-2-yl]-N-pyrazin-2-ylpyrazin-2-amine
CID 95836141
2-[(2S)-1-pyrazin-2-ylpyrrolidin-2-yl]pyrazine
CID 95841488
2-[(2R)-1-pyrazin-2-ylpyrrolidin-2-yl]pyrazine
CID 95841489

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-butyltriazol-1-yl)piperidin-1-yl]pyrazine-2-carbonitrile?
The IUPAC name of 3-[4-(4-butyltriazol-1-yl)piperidin-1-yl]pyrazine-2-carbonitrile (CID 29154132) is 3-[4-(4-butyltriazol-1-yl)piperidin-1-yl]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[4-(4-butyltriazol-1-yl)piperidin-1-yl]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[4-(4-butyltriazol-1-yl)piperidin-1-yl]pyrazine-2-carbonitrile is CCCCc1cn(C2CCN(c3nccnc3C#N)CC2)nn1.
What is the InChIKey of 3-[4-(4-butyltriazol-1-yl)piperidin-1-yl]pyrazine-2-carbonitrile?
The InChIKey is LIQZISAYHVBCDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N7/c1-2-3-4-13-12-23(21-20-13)14-5-9-22(10-6-14)16-15(11-17)18-7-8-19-16/h7-8,12,14H,2-6,9-10H2,1H3.
What are the key properties of 3-[4-(4-butyltriazol-1-yl)piperidin-1-yl]pyrazine-2-carbonitrile?
3-[4-(4-butyltriazol-1-yl)piperidin-1-yl]pyrazine-2-carbonitrile has a molecular weight of 311.39 g/mol, XLogP of 2.12, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-butyltriazol-1-yl)piperidin-1-yl]pyrazine-2-carbonitrile is sourced from PubChem (CID 29154132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).