(2E)-2-[2-(4-methylphenyl)pyrazino[1,2-a]pyrimidin-4-ylidene]acetonitrile

C16H12N4 — CID 102150755

IUPAC(2E)-2-[2-(4-methylphenyl)pyrazino[1,2-a]pyrimidin-4-ylidene]acetonitrile
SMILESCc1ccc(C2=C/C(=C\C#N)N3C=CN=CC3=N2)cc1
InChIInChI=1S/C16H12N4/c1-12-2-4-13(5-3-12)15-10-14(6-7-17)20-9-8-18-11-16(20)19-15/h2-6,8-11H,1H3/b14-6+
InChIKeyNQQDGNPEOQRMFH-MKMNVTDBSA-N
MW260.30 g/mol
LogP3.01
Rot. Bonds1

About (2E)-2-[2-(4-methylphenyl)pyrazino[1,2-a]pyrimidin-4-ylidene]acetonitrile

(2E)-2-[2-(4-methylphenyl)pyrazino[1,2-a]pyrimidin-4-ylidene]acetonitrile (PubChem CID 102150755) has the molecular formula C16H12N4 and a molecular weight of 260.30 g/mol. Its IUPAC name is (2E)-2-[2-(4-methylphenyl)pyrazino[1,2-a]pyrimidin-4-ylidene]acetonitrile.

Molecular Properties

Compound Name(2E)-2-[2-(4-methylphenyl)pyrazino[1,2-a]pyrimidin-4-ylidene]acetonitrile
PubChem CID102150755
Molecular FormulaC16H12N4
Molecular Weight260.30 g/mol
Exact Mass260.11
IUPAC Name(2E)-2-[2-(4-methylphenyl)pyrazino[1,2-a]pyrimidin-4-ylidene]acetonitrile
SMILESCc1ccc(C2=C/C(=C\C#N)N3C=CN=CC3=N2)cc1
InChIInChI=1S/C16H12N4/c1-12-2-4-13(5-3-12)15-10-14(6-7-17)20-9-8-18-11-16(20)19-15/h2-6,8-11H,1H3/b14-6+
InChIKeyNQQDGNPEOQRMFH-MKMNVTDBSA-N
XLogP3.01
TPSA51.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

Analyze (2E)-2-[2-(4-methylphenyl)pyrazino[1,2-a]pyrimidin-4-ylidene]acetonitrile 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 (2E)-2-[2-(4-methylphenyl)pyrazino[1,2-a]pyrimidin-4-ylidene]acetonitrile?
The IUPAC name of (2E)-2-[2-(4-methylphenyl)pyrazino[1,2-a]pyrimidin-4-ylidene]acetonitrile (CID 102150755) is (2E)-2-[2-(4-methylphenyl)pyrazino[1,2-a]pyrimidin-4-ylidene]acetonitrile.
What is the SMILES notation for (2E)-2-[2-(4-methylphenyl)pyrazino[1,2-a]pyrimidin-4-ylidene]acetonitrile?
The canonical SMILES for (2E)-2-[2-(4-methylphenyl)pyrazino[1,2-a]pyrimidin-4-ylidene]acetonitrile is Cc1ccc(C2=C/C(=C\C#N)N3C=CN=CC3=N2)cc1.
What is the InChIKey of (2E)-2-[2-(4-methylphenyl)pyrazino[1,2-a]pyrimidin-4-ylidene]acetonitrile?
The InChIKey is NQQDGNPEOQRMFH-MKMNVTDBSA-N. The full InChI is InChI=1S/C16H12N4/c1-12-2-4-13(5-3-12)15-10-14(6-7-17)20-9-8-18-11-16(20)19-15/h2-6,8-11H,1H3/b14-6+.
What are the key properties of (2E)-2-[2-(4-methylphenyl)pyrazino[1,2-a]pyrimidin-4-ylidene]acetonitrile?
(2E)-2-[2-(4-methylphenyl)pyrazino[1,2-a]pyrimidin-4-ylidene]acetonitrile has a molecular weight of 260.30 g/mol, XLogP of 3.01, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[2-(4-methylphenyl)pyrazino[1,2-a]pyrimidin-4-ylidene]acetonitrile is sourced from PubChem (CID 102150755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).