7-(2-amino-1-pyridin-2-ylbutyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one

C15H23N5O — CID 79095539

IUPAC7-(2-amino-1-pyridin-2-ylbutyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESCCC(N)C(c1ccccn1)N1CCN2C(=O)NCC2C1
InChIInChI=1S/C15H23N5O/c1-2-12(16)14(13-5-3-4-6-17-13)19-7-8-20-11(10-19)9-18-15(20)21/h3-6,11-12,14H,2,7-10,16H2,1H3,(H,18,21)
InChIKeyPKTKVAKBNPGPQN-UHFFFAOYSA-N
MW289.38 g/mol
LogP0.57
Rot. Bonds4

About 7-(2-amino-1-pyridin-2-ylbutyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one

7-(2-amino-1-pyridin-2-ylbutyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (PubChem CID 79095539) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is 7-(2-amino-1-pyridin-2-ylbutyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.

Molecular Properties

Compound Name7-(2-amino-1-pyridin-2-ylbutyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
PubChem CID79095539
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC Name7-(2-amino-1-pyridin-2-ylbutyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESCCC(N)C(c1ccccn1)N1CCN2C(=O)NCC2C1
InChIInChI=1S/C15H23N5O/c1-2-12(16)14(13-5-3-4-6-17-13)19-7-8-20-11(10-19)9-18-15(20)21/h3-6,11-12,14H,2,7-10,16H2,1H3,(H,18,21)
InChIKeyPKTKVAKBNPGPQN-UHFFFAOYSA-N
XLogP0.57
TPSA74.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(2-amino-1-pyridin-2-ylbutyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The IUPAC name of 7-(2-amino-1-pyridin-2-ylbutyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (CID 79095539) is 7-(2-amino-1-pyridin-2-ylbutyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.
What is the SMILES notation for 7-(2-amino-1-pyridin-2-ylbutyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The canonical SMILES for 7-(2-amino-1-pyridin-2-ylbutyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is CCC(N)C(c1ccccn1)N1CCN2C(=O)NCC2C1.
What is the InChIKey of 7-(2-amino-1-pyridin-2-ylbutyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The InChIKey is PKTKVAKBNPGPQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O/c1-2-12(16)14(13-5-3-4-6-17-13)19-7-8-20-11(10-19)9-18-15(20)21/h3-6,11-12,14H,2,7-10,16H2,1H3,(H,18,21).
What are the key properties of 7-(2-amino-1-pyridin-2-ylbutyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
7-(2-amino-1-pyridin-2-ylbutyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one has a molecular weight of 289.38 g/mol, XLogP of 0.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-amino-1-pyridin-2-ylbutyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is sourced from PubChem (CID 79095539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).