(6S,7aR)-2-amino-4-methyl-6-(2-methylpropyl)-3-propyl-3a,6,7,7a-tetrahydroimidazo[4,5-b]pyrazin-5-one

C13H25N5O — CID 166930615

IUPAC(6S,7aR)-2-amino-4-methyl-6-(2-methylpropyl)-3-propyl-3a,6,7,7a-tetrahydroimidazo[4,5-b]pyrazin-5-one
SMILESCCCN1C(N)=N[C@H]2N[C@@H](CC(C)C)C(=O)N(C)C21
InChIInChI=1S/C13H25N5O/c1-5-6-18-11-10(16-13(18)14)15-9(7-8(2)3)12(19)17(11)4/h8-11,15H,5-7H2,1-4H3,(H2,14,16)/t9-,10+,11?/m0/s1
InChIKeySITDEUDWXOBODD-MTULOOOASA-N
MW267.38 g/mol
LogP0.16
Rot. Bonds4

About (6S,7aR)-2-amino-4-methyl-6-(2-methylpropyl)-3-propyl-3a,6,7,7a-tetrahydroimidazo[4,5-b]pyrazin-5-one

(6S,7aR)-2-amino-4-methyl-6-(2-methylpropyl)-3-propyl-3a,6,7,7a-tetrahydroimidazo[4,5-b]pyrazin-5-one (PubChem CID 166930615) has the molecular formula C13H25N5O and a molecular weight of 267.38 g/mol. Its IUPAC name is (6S,7aR)-2-amino-4-methyl-6-(2-methylpropyl)-3-propyl-3a,6,7,7a-tetrahydroimidazo[4,5-b]pyrazin-5-one.

Molecular Properties

Compound Name(6S,7aR)-2-amino-4-methyl-6-(2-methylpropyl)-3-propyl-3a,6,7,7a-tetrahydroimidazo[4,5-b]pyrazin-5-one
PubChem CID166930615
Molecular FormulaC13H25N5O
Molecular Weight267.38 g/mol
Exact Mass267.21
IUPAC Name(6S,7aR)-2-amino-4-methyl-6-(2-methylpropyl)-3-propyl-3a,6,7,7a-tetrahydroimidazo[4,5-b]pyrazin-5-one
SMILESCCCN1C(N)=N[C@H]2N[C@@H](CC(C)C)C(=O)N(C)C21
InChIInChI=1S/C13H25N5O/c1-5-6-18-11-10(16-13(18)14)15-9(7-8(2)3)12(19)17(11)4/h8-11,15H,5-7H2,1-4H3,(H2,14,16)/t9-,10+,11?/m0/s1
InChIKeySITDEUDWXOBODD-MTULOOOASA-N
XLogP0.16
TPSA73.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6S,7aR)-2-amino-4-methyl-6-(2-methylpropyl)-3-propyl-3a,6,7,7a-tetrahydroimidazo[4,5-b]pyrazin-5-one?
The IUPAC name of (6S,7aR)-2-amino-4-methyl-6-(2-methylpropyl)-3-propyl-3a,6,7,7a-tetrahydroimidazo[4,5-b]pyrazin-5-one (CID 166930615) is (6S,7aR)-2-amino-4-methyl-6-(2-methylpropyl)-3-propyl-3a,6,7,7a-tetrahydroimidazo[4,5-b]pyrazin-5-one.
What is the SMILES notation for (6S,7aR)-2-amino-4-methyl-6-(2-methylpropyl)-3-propyl-3a,6,7,7a-tetrahydroimidazo[4,5-b]pyrazin-5-one?
The canonical SMILES for (6S,7aR)-2-amino-4-methyl-6-(2-methylpropyl)-3-propyl-3a,6,7,7a-tetrahydroimidazo[4,5-b]pyrazin-5-one is CCCN1C(N)=N[C@H]2N[C@@H](CC(C)C)C(=O)N(C)C21.
What is the InChIKey of (6S,7aR)-2-amino-4-methyl-6-(2-methylpropyl)-3-propyl-3a,6,7,7a-tetrahydroimidazo[4,5-b]pyrazin-5-one?
The InChIKey is SITDEUDWXOBODD-MTULOOOASA-N. The full InChI is InChI=1S/C13H25N5O/c1-5-6-18-11-10(16-13(18)14)15-9(7-8(2)3)12(19)17(11)4/h8-11,15H,5-7H2,1-4H3,(H2,14,16)/t9-,10+,11?/m0/s1.
What are the key properties of (6S,7aR)-2-amino-4-methyl-6-(2-methylpropyl)-3-propyl-3a,6,7,7a-tetrahydroimidazo[4,5-b]pyrazin-5-one?
(6S,7aR)-2-amino-4-methyl-6-(2-methylpropyl)-3-propyl-3a,6,7,7a-tetrahydroimidazo[4,5-b]pyrazin-5-one has a molecular weight of 267.38 g/mol, XLogP of 0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,7aR)-2-amino-4-methyl-6-(2-methylpropyl)-3-propyl-3a,6,7,7a-tetrahydroimidazo[4,5-b]pyrazin-5-one is sourced from PubChem (CID 166930615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).