3-(1-iodopyrrolidin-3-yl)-1-methylimidazo[1,5-a]pyrazin-8-amine

C11H14IN5 — CID 178092720

IUPAC3-(1-iodopyrrolidin-3-yl)-1-methylimidazo[1,5-a]pyrazin-8-amine
SMILESCc1nc(C2CCN(I)C2)n2ccnc(N)c12
InChIInChI=1S/C11H14IN5/c1-7-9-10(13)14-3-5-17(9)11(15-7)8-2-4-16(12)6-8/h3,5,8H,2,4,6H2,1H3,(H2,13,14)
InChIKeyLYGSTVYRNZLYTK-UHFFFAOYSA-N
MW343.17 g/mol
LogP1.76
Rot. Bonds1

About 3-(1-iodopyrrolidin-3-yl)-1-methylimidazo[1,5-a]pyrazin-8-amine

3-(1-iodopyrrolidin-3-yl)-1-methylimidazo[1,5-a]pyrazin-8-amine (PubChem CID 178092720) has the molecular formula C11H14IN5 and a molecular weight of 343.17 g/mol. Its IUPAC name is 3-(1-iodopyrrolidin-3-yl)-1-methylimidazo[1,5-a]pyrazin-8-amine.

Molecular Properties

Compound Name3-(1-iodopyrrolidin-3-yl)-1-methylimidazo[1,5-a]pyrazin-8-amine
PubChem CID178092720
Molecular FormulaC11H14IN5
Molecular Weight343.17 g/mol
Exact Mass343.03
IUPAC Name3-(1-iodopyrrolidin-3-yl)-1-methylimidazo[1,5-a]pyrazin-8-amine
SMILESCc1nc(C2CCN(I)C2)n2ccnc(N)c12
InChIInChI=1S/C11H14IN5/c1-7-9-10(13)14-3-5-17(9)11(15-7)8-2-4-16(12)6-8/h3,5,8H,2,4,6H2,1H3,(H2,13,14)
InChIKeyLYGSTVYRNZLYTK-UHFFFAOYSA-N
XLogP1.76
TPSA59.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.17
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(1-iodopyrrolidin-3-yl)-1-methylimidazo[1,5-a]pyrazin-8-amine?
The IUPAC name of 3-(1-iodopyrrolidin-3-yl)-1-methylimidazo[1,5-a]pyrazin-8-amine (CID 178092720) is 3-(1-iodopyrrolidin-3-yl)-1-methylimidazo[1,5-a]pyrazin-8-amine.
What is the SMILES notation for 3-(1-iodopyrrolidin-3-yl)-1-methylimidazo[1,5-a]pyrazin-8-amine?
The canonical SMILES for 3-(1-iodopyrrolidin-3-yl)-1-methylimidazo[1,5-a]pyrazin-8-amine is Cc1nc(C2CCN(I)C2)n2ccnc(N)c12.
What is the InChIKey of 3-(1-iodopyrrolidin-3-yl)-1-methylimidazo[1,5-a]pyrazin-8-amine?
The InChIKey is LYGSTVYRNZLYTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14IN5/c1-7-9-10(13)14-3-5-17(9)11(15-7)8-2-4-16(12)6-8/h3,5,8H,2,4,6H2,1H3,(H2,13,14).
What are the key properties of 3-(1-iodopyrrolidin-3-yl)-1-methylimidazo[1,5-a]pyrazin-8-amine?
3-(1-iodopyrrolidin-3-yl)-1-methylimidazo[1,5-a]pyrazin-8-amine has a molecular weight of 343.17 g/mol, XLogP of 1.76, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-iodopyrrolidin-3-yl)-1-methylimidazo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 178092720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).