6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazine-3-carbaldehyde

C11H9N5O — CID 125449429

IUPAC6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazine-3-carbaldehyde
SMILESCn1cc(-c2cn3c(C=O)cnc3cn2)cn1
InChIInChI=1S/C11H9N5O/c1-15-5-8(2-14-15)10-6-16-9(7-17)3-13-11(16)4-12-10/h2-7H,1H3
InChIKeyQQPANDWNLUKEQB-UHFFFAOYSA-N
MW227.23 g/mol
LogP0.94
Rot. Bonds2

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

6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazine-3-carbaldehyde (PubChem CID 125449429) has the molecular formula C11H9N5O and a molecular weight of 227.23 g/mol. Its IUPAC name is 6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazine-3-carbaldehyde.

Molecular Properties

Compound Name6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazine-3-carbaldehyde
PubChem CID125449429
Molecular FormulaC11H9N5O
Molecular Weight227.23 g/mol
Exact Mass227.08
IUPAC Name6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazine-3-carbaldehyde
SMILESCn1cc(-c2cn3c(C=O)cnc3cn2)cn1
InChIInChI=1S/C11H9N5O/c1-15-5-8(2-14-15)10-6-16-9(7-17)3-13-11(16)4-12-10/h2-7H,1H3
InChIKeyQQPANDWNLUKEQB-UHFFFAOYSA-N
XLogP0.94
TPSA65.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazine-3-carbaldehyde?
The IUPAC name of 6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazine-3-carbaldehyde (CID 125449429) is 6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazine-3-carbaldehyde.
What is the SMILES notation for 6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazine-3-carbaldehyde?
The canonical SMILES for 6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazine-3-carbaldehyde is Cn1cc(-c2cn3c(C=O)cnc3cn2)cn1.
What is the InChIKey of 6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazine-3-carbaldehyde?
The InChIKey is QQPANDWNLUKEQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5O/c1-15-5-8(2-14-15)10-6-16-9(7-17)3-13-11(16)4-12-10/h2-7H,1H3.
What are the key properties of 6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazine-3-carbaldehyde?
6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazine-3-carbaldehyde has a molecular weight of 227.23 g/mol, XLogP of 0.94, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazine-3-carbaldehyde is sourced from PubChem (CID 125449429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).