1-(1-methylcyclobutyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,7-dicarboxamide

C13H21N5O2 — CID 142521026

IUPAC1-(1-methylcyclobutyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,7-dicarboxamide
SMILESCC1(C2(C(N)=O)N=CN3CCN(C(N)=O)CC32)CCC1
InChIInChI=1S/C13H21N5O2/c1-12(3-2-4-12)13(10(14)19)9-7-17(11(15)20)5-6-18(9)8-16-13/h8-9H,2-7H2,1H3,(H2,14,19)(H2,15,20)
InChIKeyBIHRJNODXGTUEB-UHFFFAOYSA-N
MW279.34 g/mol
LogP-0.49
Rot. Bonds2

About 1-(1-methylcyclobutyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,7-dicarboxamide

1-(1-methylcyclobutyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,7-dicarboxamide (PubChem CID 142521026) has the molecular formula C13H21N5O2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 1-(1-methylcyclobutyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,7-dicarboxamide.

Molecular Properties

Compound Name1-(1-methylcyclobutyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,7-dicarboxamide
PubChem CID142521026
Molecular FormulaC13H21N5O2
Molecular Weight279.34 g/mol
Exact Mass279.17
IUPAC Name1-(1-methylcyclobutyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,7-dicarboxamide
SMILESCC1(C2(C(N)=O)N=CN3CCN(C(N)=O)CC32)CCC1
InChIInChI=1S/C13H21N5O2/c1-12(3-2-4-12)13(10(14)19)9-7-17(11(15)20)5-6-18(9)8-16-13/h8-9H,2-7H2,1H3,(H2,14,19)(H2,15,20)
InChIKeyBIHRJNODXGTUEB-UHFFFAOYSA-N
XLogP-0.49
TPSA105.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylcyclobutyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,7-dicarboxamide?
The IUPAC name of 1-(1-methylcyclobutyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,7-dicarboxamide (CID 142521026) is 1-(1-methylcyclobutyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,7-dicarboxamide.
What is the SMILES notation for 1-(1-methylcyclobutyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,7-dicarboxamide?
The canonical SMILES for 1-(1-methylcyclobutyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,7-dicarboxamide is CC1(C2(C(N)=O)N=CN3CCN(C(N)=O)CC32)CCC1.
What is the InChIKey of 1-(1-methylcyclobutyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,7-dicarboxamide?
The InChIKey is BIHRJNODXGTUEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2/c1-12(3-2-4-12)13(10(14)19)9-7-17(11(15)20)5-6-18(9)8-16-13/h8-9H,2-7H2,1H3,(H2,14,19)(H2,15,20).
What are the key properties of 1-(1-methylcyclobutyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,7-dicarboxamide?
1-(1-methylcyclobutyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,7-dicarboxamide has a molecular weight of 279.34 g/mol, XLogP of -0.49, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylcyclobutyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,7-dicarboxamide is sourced from PubChem (CID 142521026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).