2-methyl-5-propan-2-ylpyrazine;5-methyl-2-propan-2-ylpyridine;5-propan-2-ylpyridine-2-carbonitrile

C26H35N5 — CID 167549650

IUPAC2-methyl-5-propan-2-ylpyrazine;5-methyl-2-propan-2-ylpyridine;5-propan-2-ylpyridine-2-carbonitrile
SMILESCC(C)c1ccc(C#N)nc1.Cc1ccc(C(C)C)nc1.Cc1cnc(C(C)C)cn1
InChIInChI=1S/C9H10N2.C9H13N.C8H12N2/c1-7(2)8-3-4-9(5-10)11-6-8;1-7(2)9-5-4-8(3)6-10-9;1-6(2)8-5-9-7(3)4-10-8/h3-4,6-7H,1-2H3;4-7H,1-3H3;4-6H,1-3H3
InChIKeyCFWDOOIXKOAMQB-UHFFFAOYSA-N
MW417.60 g/mol
LogP6.50
Rot. Bonds3

About 2-methyl-5-propan-2-ylpyrazine;5-methyl-2-propan-2-ylpyridine;5-propan-2-ylpyridine-2-carbonitrile

2-methyl-5-propan-2-ylpyrazine;5-methyl-2-propan-2-ylpyridine;5-propan-2-ylpyridine-2-carbonitrile (PubChem CID 167549650) has the molecular formula C26H35N5 and a molecular weight of 417.60 g/mol. Its IUPAC name is 2-methyl-5-propan-2-ylpyrazine;5-methyl-2-propan-2-ylpyridine;5-propan-2-ylpyridine-2-carbonitrile.

Molecular Properties

Compound Name2-methyl-5-propan-2-ylpyrazine;5-methyl-2-propan-2-ylpyridine;5-propan-2-ylpyridine-2-carbonitrile
PubChem CID167549650
Molecular FormulaC26H35N5
Molecular Weight417.60 g/mol
Exact Mass417.29
IUPAC Name2-methyl-5-propan-2-ylpyrazine;5-methyl-2-propan-2-ylpyridine;5-propan-2-ylpyridine-2-carbonitrile
SMILESCC(C)c1ccc(C#N)nc1.Cc1ccc(C(C)C)nc1.Cc1cnc(C(C)C)cn1
InChIInChI=1S/C9H10N2.C9H13N.C8H12N2/c1-7(2)8-3-4-9(5-10)11-6-8;1-7(2)9-5-4-8(3)6-10-9;1-6(2)8-5-9-7(3)4-10-8/h3-4,6-7H,1-2H3;4-7H,1-3H3;4-6H,1-3H3
InChIKeyCFWDOOIXKOAMQB-UHFFFAOYSA-N
XLogP6.50
TPSA75.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.60
LogP ≤ 56.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-methyl-5-propan-2-ylpyrazine;5-methyl-2-propan-2-ylpyridine;5-propan-2-ylpyridine-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

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-propan-2-ylpyrazine;5-methyl-2-propan-2-ylpyridine;5-propan-2-ylpyridine-2-carbonitrile?
The IUPAC name of 2-methyl-5-propan-2-ylpyrazine;5-methyl-2-propan-2-ylpyridine;5-propan-2-ylpyridine-2-carbonitrile (CID 167549650) is 2-methyl-5-propan-2-ylpyrazine;5-methyl-2-propan-2-ylpyridine;5-propan-2-ylpyridine-2-carbonitrile.
What is the SMILES notation for 2-methyl-5-propan-2-ylpyrazine;5-methyl-2-propan-2-ylpyridine;5-propan-2-ylpyridine-2-carbonitrile?
The canonical SMILES for 2-methyl-5-propan-2-ylpyrazine;5-methyl-2-propan-2-ylpyridine;5-propan-2-ylpyridine-2-carbonitrile is CC(C)c1ccc(C#N)nc1.Cc1ccc(C(C)C)nc1.Cc1cnc(C(C)C)cn1.
What is the InChIKey of 2-methyl-5-propan-2-ylpyrazine;5-methyl-2-propan-2-ylpyridine;5-propan-2-ylpyridine-2-carbonitrile?
The InChIKey is CFWDOOIXKOAMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2.C9H13N.C8H12N2/c1-7(2)8-3-4-9(5-10)11-6-8;1-7(2)9-5-4-8(3)6-10-9;1-6(2)8-5-9-7(3)4-10-8/h3-4,6-7H,1-2H3;4-7H,1-3H3;4-6H,1-3H3.
What are the key properties of 2-methyl-5-propan-2-ylpyrazine;5-methyl-2-propan-2-ylpyridine;5-propan-2-ylpyridine-2-carbonitrile?
2-methyl-5-propan-2-ylpyrazine;5-methyl-2-propan-2-ylpyridine;5-propan-2-ylpyridine-2-carbonitrile has a molecular weight of 417.60 g/mol, XLogP of 6.50, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-propan-2-ylpyrazine;5-methyl-2-propan-2-ylpyridine;5-propan-2-ylpyridine-2-carbonitrile is sourced from PubChem (CID 167549650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).