3-[4-(methylamino)phenyl]imidazo[1,2-a]pyrazine-6-carbaldehyde

C14H12N4O — CID 144630474

IUPAC3-[4-(methylamino)phenyl]imidazo[1,2-a]pyrazine-6-carbaldehyde
SMILESCNc1ccc(-c2cnc3cnc(C=O)cn23)cc1
InChIInChI=1S/C14H12N4O/c1-15-11-4-2-10(3-5-11)13-6-17-14-7-16-12(9-19)8-18(13)14/h2-9,15H,1H3
InChIKeyMJYDSSIYWOIGEZ-UHFFFAOYSA-N
MW252.28 g/mol
LogP2.25
Rot. Bonds3

About 3-[4-(methylamino)phenyl]imidazo[1,2-a]pyrazine-6-carbaldehyde

3-[4-(methylamino)phenyl]imidazo[1,2-a]pyrazine-6-carbaldehyde (PubChem CID 144630474) has the molecular formula C14H12N4O and a molecular weight of 252.28 g/mol. Its IUPAC name is 3-[4-(methylamino)phenyl]imidazo[1,2-a]pyrazine-6-carbaldehyde.

Molecular Properties

Compound Name3-[4-(methylamino)phenyl]imidazo[1,2-a]pyrazine-6-carbaldehyde
PubChem CID144630474
Molecular FormulaC14H12N4O
Molecular Weight252.28 g/mol
Exact Mass252.10
IUPAC Name3-[4-(methylamino)phenyl]imidazo[1,2-a]pyrazine-6-carbaldehyde
SMILESCNc1ccc(-c2cnc3cnc(C=O)cn23)cc1
InChIInChI=1S/C14H12N4O/c1-15-11-4-2-10(3-5-11)13-6-17-14-7-16-12(9-19)8-18(13)14/h2-9,15H,1H3
InChIKeyMJYDSSIYWOIGEZ-UHFFFAOYSA-N
XLogP2.25
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(methylamino)phenyl]imidazo[1,2-a]pyrazine-6-carbaldehyde?
The IUPAC name of 3-[4-(methylamino)phenyl]imidazo[1,2-a]pyrazine-6-carbaldehyde (CID 144630474) is 3-[4-(methylamino)phenyl]imidazo[1,2-a]pyrazine-6-carbaldehyde.
What is the SMILES notation for 3-[4-(methylamino)phenyl]imidazo[1,2-a]pyrazine-6-carbaldehyde?
The canonical SMILES for 3-[4-(methylamino)phenyl]imidazo[1,2-a]pyrazine-6-carbaldehyde is CNc1ccc(-c2cnc3cnc(C=O)cn23)cc1.
What is the InChIKey of 3-[4-(methylamino)phenyl]imidazo[1,2-a]pyrazine-6-carbaldehyde?
The InChIKey is MJYDSSIYWOIGEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O/c1-15-11-4-2-10(3-5-11)13-6-17-14-7-16-12(9-19)8-18(13)14/h2-9,15H,1H3.
What are the key properties of 3-[4-(methylamino)phenyl]imidazo[1,2-a]pyrazine-6-carbaldehyde?
3-[4-(methylamino)phenyl]imidazo[1,2-a]pyrazine-6-carbaldehyde has a molecular weight of 252.28 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(methylamino)phenyl]imidazo[1,2-a]pyrazine-6-carbaldehyde is sourced from PubChem (CID 144630474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).