2,5-dimethyl-1-(1-phenylethyl)imidazo[4,5-b]pyrazine;formamide

C16H19N5O — CID 175078618

IUPAC2,5-dimethyl-1-(1-phenylethyl)imidazo[4,5-b]pyrazine;formamide
SMILESCc1cnc2c(n1)nc(C)n2C(C)c1ccccc1.NC=O
InChIInChI=1S/C15H16N4.CH3NO/c1-10-9-16-15-14(17-10)18-12(3)19(15)11(2)13-7-5-4-6-8-13;2-1-3/h4-9,11H,1-3H3;1H,(H2,2,3)
InChIKeyPXSCGKUJPXOBMS-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.15
Rot. Bonds2

About 2,5-dimethyl-1-(1-phenylethyl)imidazo[4,5-b]pyrazine;formamide

2,5-dimethyl-1-(1-phenylethyl)imidazo[4,5-b]pyrazine;formamide (PubChem CID 175078618) has the molecular formula C16H19N5O and a molecular weight of 297.36 g/mol. Its IUPAC name is 2,5-dimethyl-1-(1-phenylethyl)imidazo[4,5-b]pyrazine;formamide.

Molecular Properties

Compound Name2,5-dimethyl-1-(1-phenylethyl)imidazo[4,5-b]pyrazine;formamide
PubChem CID175078618
Molecular FormulaC16H19N5O
Molecular Weight297.36 g/mol
Exact Mass297.16
IUPAC Name2,5-dimethyl-1-(1-phenylethyl)imidazo[4,5-b]pyrazine;formamide
SMILESCc1cnc2c(n1)nc(C)n2C(C)c1ccccc1.NC=O
InChIInChI=1S/C15H16N4.CH3NO/c1-10-9-16-15-14(17-10)18-12(3)19(15)11(2)13-7-5-4-6-8-13;2-1-3/h4-9,11H,1-3H3;1H,(H2,2,3)
InChIKeyPXSCGKUJPXOBMS-UHFFFAOYSA-N
XLogP2.15
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.15
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 2,5-dimethyl-1-(1-phenylethyl)imidazo[4,5-b]pyrazine;formamide?
The IUPAC name of 2,5-dimethyl-1-(1-phenylethyl)imidazo[4,5-b]pyrazine;formamide (CID 175078618) is 2,5-dimethyl-1-(1-phenylethyl)imidazo[4,5-b]pyrazine;formamide.
What is the SMILES notation for 2,5-dimethyl-1-(1-phenylethyl)imidazo[4,5-b]pyrazine;formamide?
The canonical SMILES for 2,5-dimethyl-1-(1-phenylethyl)imidazo[4,5-b]pyrazine;formamide is Cc1cnc2c(n1)nc(C)n2C(C)c1ccccc1.NC=O.
What is the InChIKey of 2,5-dimethyl-1-(1-phenylethyl)imidazo[4,5-b]pyrazine;formamide?
The InChIKey is PXSCGKUJPXOBMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4.CH3NO/c1-10-9-16-15-14(17-10)18-12(3)19(15)11(2)13-7-5-4-6-8-13;2-1-3/h4-9,11H,1-3H3;1H,(H2,2,3).
What are the key properties of 2,5-dimethyl-1-(1-phenylethyl)imidazo[4,5-b]pyrazine;formamide?
2,5-dimethyl-1-(1-phenylethyl)imidazo[4,5-b]pyrazine;formamide has a molecular weight of 297.36 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1-(1-phenylethyl)imidazo[4,5-b]pyrazine;formamide is sourced from PubChem (CID 175078618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).