6-chloro-8-(propan-2-ylamino)imidazo[1,2-a]pyrazine-3-carbaldehyde

C10H11ClN4O — CID 84700891

IUPAC6-chloro-8-(propan-2-ylamino)imidazo[1,2-a]pyrazine-3-carbaldehyde
SMILESCC(C)Nc1nc(Cl)cn2c(C=O)cnc12
InChIInChI=1S/C10H11ClN4O/c1-6(2)13-9-10-12-3-7(5-16)15(10)4-8(11)14-9/h3-6H,1-2H3,(H,13,14)
InChIKeyGYWBTOHDKFIXHT-UHFFFAOYSA-N
MW238.68 g/mol
LogP2.02
Rot. Bonds3

About 6-chloro-8-(propan-2-ylamino)imidazo[1,2-a]pyrazine-3-carbaldehyde

6-chloro-8-(propan-2-ylamino)imidazo[1,2-a]pyrazine-3-carbaldehyde (PubChem CID 84700891) has the molecular formula C10H11ClN4O and a molecular weight of 238.68 g/mol. Its IUPAC name is 6-chloro-8-(propan-2-ylamino)imidazo[1,2-a]pyrazine-3-carbaldehyde.

Molecular Properties

Compound Name6-chloro-8-(propan-2-ylamino)imidazo[1,2-a]pyrazine-3-carbaldehyde
PubChem CID84700891
Molecular FormulaC10H11ClN4O
Molecular Weight238.68 g/mol
Exact Mass238.06
IUPAC Name6-chloro-8-(propan-2-ylamino)imidazo[1,2-a]pyrazine-3-carbaldehyde
SMILESCC(C)Nc1nc(Cl)cn2c(C=O)cnc12
InChIInChI=1S/C10H11ClN4O/c1-6(2)13-9-10-12-3-7(5-16)15(10)4-8(11)14-9/h3-6H,1-2H3,(H,13,14)
InChIKeyGYWBTOHDKFIXHT-UHFFFAOYSA-N
XLogP2.02
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.68
LogP ≤ 52.02
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 6-chloro-8-(propan-2-ylamino)imidazo[1,2-a]pyrazine-3-carbaldehyde?
The IUPAC name of 6-chloro-8-(propan-2-ylamino)imidazo[1,2-a]pyrazine-3-carbaldehyde (CID 84700891) is 6-chloro-8-(propan-2-ylamino)imidazo[1,2-a]pyrazine-3-carbaldehyde.
What is the SMILES notation for 6-chloro-8-(propan-2-ylamino)imidazo[1,2-a]pyrazine-3-carbaldehyde?
The canonical SMILES for 6-chloro-8-(propan-2-ylamino)imidazo[1,2-a]pyrazine-3-carbaldehyde is CC(C)Nc1nc(Cl)cn2c(C=O)cnc12.
What is the InChIKey of 6-chloro-8-(propan-2-ylamino)imidazo[1,2-a]pyrazine-3-carbaldehyde?
The InChIKey is GYWBTOHDKFIXHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4O/c1-6(2)13-9-10-12-3-7(5-16)15(10)4-8(11)14-9/h3-6H,1-2H3,(H,13,14).
What are the key properties of 6-chloro-8-(propan-2-ylamino)imidazo[1,2-a]pyrazine-3-carbaldehyde?
6-chloro-8-(propan-2-ylamino)imidazo[1,2-a]pyrazine-3-carbaldehyde has a molecular weight of 238.68 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-8-(propan-2-ylamino)imidazo[1,2-a]pyrazine-3-carbaldehyde is sourced from PubChem (CID 84700891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).