1,3-di(propan-2-yl)imidazo[1,5-a]pyrazin-8-amine

C12H18N4 — CID 59341166

IUPAC1,3-di(propan-2-yl)imidazo[1,5-a]pyrazin-8-amine
SMILESCC(C)c1nc(C(C)C)n2ccnc(N)c12
InChIInChI=1S/C12H18N4/c1-7(2)9-10-11(13)14-5-6-16(10)12(15-9)8(3)4/h5-8H,1-4H3,(H2,13,14)
InChIKeyHCIHKIRBFKNYNX-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.56
Rot. Bonds2

About 1,3-di(propan-2-yl)imidazo[1,5-a]pyrazin-8-amine

1,3-di(propan-2-yl)imidazo[1,5-a]pyrazin-8-amine (PubChem CID 59341166) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is 1,3-di(propan-2-yl)imidazo[1,5-a]pyrazin-8-amine.

Molecular Properties

Compound Name1,3-di(propan-2-yl)imidazo[1,5-a]pyrazin-8-amine
PubChem CID59341166
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC Name1,3-di(propan-2-yl)imidazo[1,5-a]pyrazin-8-amine
SMILESCC(C)c1nc(C(C)C)n2ccnc(N)c12
InChIInChI=1S/C12H18N4/c1-7(2)9-10-11(13)14-5-6-16(10)12(15-9)8(3)4/h5-8H,1-4H3,(H2,13,14)
InChIKeyHCIHKIRBFKNYNX-UHFFFAOYSA-N
XLogP2.56
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3-di(propan-2-yl)imidazo[1,5-a]pyrazin-8-amine?
The IUPAC name of 1,3-di(propan-2-yl)imidazo[1,5-a]pyrazin-8-amine (CID 59341166) is 1,3-di(propan-2-yl)imidazo[1,5-a]pyrazin-8-amine.
What is the SMILES notation for 1,3-di(propan-2-yl)imidazo[1,5-a]pyrazin-8-amine?
The canonical SMILES for 1,3-di(propan-2-yl)imidazo[1,5-a]pyrazin-8-amine is CC(C)c1nc(C(C)C)n2ccnc(N)c12.
What is the InChIKey of 1,3-di(propan-2-yl)imidazo[1,5-a]pyrazin-8-amine?
The InChIKey is HCIHKIRBFKNYNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4/c1-7(2)9-10-11(13)14-5-6-16(10)12(15-9)8(3)4/h5-8H,1-4H3,(H2,13,14).
What are the key properties of 1,3-di(propan-2-yl)imidazo[1,5-a]pyrazin-8-amine?
1,3-di(propan-2-yl)imidazo[1,5-a]pyrazin-8-amine has a molecular weight of 218.30 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-di(propan-2-yl)imidazo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 59341166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).