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

C20H24N8 — CID 72841406

IUPAC2-[4-[4-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine-4-carbonitrile
SMILESCCn1c(Cn2ccnc2C)nnc1C1CCN(c2cc(C#N)ccn2)CC1
InChIInChI=1S/C20H24N8/c1-3-28-19(14-27-11-8-22-15(27)2)24-25-20(28)17-5-9-26(10-6-17)18-12-16(13-21)4-7-23-18/h4,7-8,11-12,17H,3,5-6,9-10,14H2,1-2H3
InChIKeyACBNTFXCFVWJBT-UHFFFAOYSA-N
MW376.47 g/mol
LogP2.50
Rot. Bonds5

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

2-[4-[4-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine-4-carbonitrile (PubChem CID 72841406) has the molecular formula C20H24N8 and a molecular weight of 376.47 g/mol. Its IUPAC name is 2-[4-[4-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[4-[4-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine-4-carbonitrile
PubChem CID72841406
Molecular FormulaC20H24N8
Molecular Weight376.47 g/mol
Exact Mass376.21
IUPAC Name2-[4-[4-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine-4-carbonitrile
SMILESCCn1c(Cn2ccnc2C)nnc1C1CCN(c2cc(C#N)ccn2)CC1
InChIInChI=1S/C20H24N8/c1-3-28-19(14-27-11-8-22-15(27)2)24-25-20(28)17-5-9-26(10-6-17)18-12-16(13-21)4-7-23-18/h4,7-8,11-12,17H,3,5-6,9-10,14H2,1-2H3
InChIKeyACBNTFXCFVWJBT-UHFFFAOYSA-N
XLogP2.50
TPSA88.45 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.47
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine-4-carbonitrile?
The IUPAC name of 2-[4-[4-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine-4-carbonitrile (CID 72841406) is 2-[4-[4-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[4-[4-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine-4-carbonitrile?
The canonical SMILES for 2-[4-[4-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine-4-carbonitrile is CCn1c(Cn2ccnc2C)nnc1C1CCN(c2cc(C#N)ccn2)CC1.
What is the InChIKey of 2-[4-[4-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine-4-carbonitrile?
The InChIKey is ACBNTFXCFVWJBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N8/c1-3-28-19(14-27-11-8-22-15(27)2)24-25-20(28)17-5-9-26(10-6-17)18-12-16(13-21)4-7-23-18/h4,7-8,11-12,17H,3,5-6,9-10,14H2,1-2H3.
What are the key properties of 2-[4-[4-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine-4-carbonitrile?
2-[4-[4-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine-4-carbonitrile has a molecular weight of 376.47 g/mol, XLogP of 2.50, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine-4-carbonitrile is sourced from PubChem (CID 72841406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).