2-(5-methylfuran-2-yl)-2-(4-methylpiperazin-1-yl)acetonitrile

C12H17N3O — CID 51064468

IUPAC2-(5-methylfuran-2-yl)-2-(4-methylpiperazin-1-yl)acetonitrile
SMILESCc1ccc(C(C#N)N2CCN(C)CC2)o1
InChIInChI=1S/C12H17N3O/c1-10-3-4-12(16-10)11(9-13)15-7-5-14(2)6-8-15/h3-4,11H,5-8H2,1-2H3
InChIKeyFDXGXCUTCSLKRY-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.40
Rot. Bonds2

About 2-(5-methylfuran-2-yl)-2-(4-methylpiperazin-1-yl)acetonitrile

2-(5-methylfuran-2-yl)-2-(4-methylpiperazin-1-yl)acetonitrile (PubChem CID 51064468) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 2-(5-methylfuran-2-yl)-2-(4-methylpiperazin-1-yl)acetonitrile.

Molecular Properties

Compound Name2-(5-methylfuran-2-yl)-2-(4-methylpiperazin-1-yl)acetonitrile
PubChem CID51064468
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name2-(5-methylfuran-2-yl)-2-(4-methylpiperazin-1-yl)acetonitrile
SMILESCc1ccc(C(C#N)N2CCN(C)CC2)o1
InChIInChI=1S/C12H17N3O/c1-10-3-4-12(16-10)11(9-13)15-7-5-14(2)6-8-15/h3-4,11H,5-8H2,1-2H3
InChIKeyFDXGXCUTCSLKRY-UHFFFAOYSA-N
XLogP1.40
TPSA43.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methylfuran-2-yl)-2-(4-methylpiperazin-1-yl)acetonitrile?
The IUPAC name of 2-(5-methylfuran-2-yl)-2-(4-methylpiperazin-1-yl)acetonitrile (CID 51064468) is 2-(5-methylfuran-2-yl)-2-(4-methylpiperazin-1-yl)acetonitrile.
What is the SMILES notation for 2-(5-methylfuran-2-yl)-2-(4-methylpiperazin-1-yl)acetonitrile?
The canonical SMILES for 2-(5-methylfuran-2-yl)-2-(4-methylpiperazin-1-yl)acetonitrile is Cc1ccc(C(C#N)N2CCN(C)CC2)o1.
What is the InChIKey of 2-(5-methylfuran-2-yl)-2-(4-methylpiperazin-1-yl)acetonitrile?
The InChIKey is FDXGXCUTCSLKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-10-3-4-12(16-10)11(9-13)15-7-5-14(2)6-8-15/h3-4,11H,5-8H2,1-2H3.
What are the key properties of 2-(5-methylfuran-2-yl)-2-(4-methylpiperazin-1-yl)acetonitrile?
2-(5-methylfuran-2-yl)-2-(4-methylpiperazin-1-yl)acetonitrile has a molecular weight of 219.29 g/mol, XLogP of 1.40, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylfuran-2-yl)-2-(4-methylpiperazin-1-yl)acetonitrile is sourced from PubChem (CID 51064468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).