3-(cyclohexylmethyl)-1H-imidazo[4,5-b]pyrazin-2-one

C12H16N4O — CID 67318652

IUPAC3-(cyclohexylmethyl)-1H-imidazo[4,5-b]pyrazin-2-one
SMILESO=c1[nH]c2nccnc2n1CC1CCCCC1
InChIInChI=1S/C12H16N4O/c17-12-15-10-11(14-7-6-13-10)16(12)8-9-4-2-1-3-5-9/h6-7,9H,1-5,8H2,(H,13,15,17)
InChIKeyPQRALBVLDSZDBR-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.70
Rot. Bonds2

About 3-(cyclohexylmethyl)-1H-imidazo[4,5-b]pyrazin-2-one

3-(cyclohexylmethyl)-1H-imidazo[4,5-b]pyrazin-2-one (PubChem CID 67318652) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 3-(cyclohexylmethyl)-1H-imidazo[4,5-b]pyrazin-2-one.

Molecular Properties

Compound Name3-(cyclohexylmethyl)-1H-imidazo[4,5-b]pyrazin-2-one
PubChem CID67318652
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name3-(cyclohexylmethyl)-1H-imidazo[4,5-b]pyrazin-2-one
SMILESO=c1[nH]c2nccnc2n1CC1CCCCC1
InChIInChI=1S/C12H16N4O/c17-12-15-10-11(14-7-6-13-10)16(12)8-9-4-2-1-3-5-9/h6-7,9H,1-5,8H2,(H,13,15,17)
InChIKeyPQRALBVLDSZDBR-UHFFFAOYSA-N
XLogP1.70
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylmethyl)-1H-imidazo[4,5-b]pyrazin-2-one?
The IUPAC name of 3-(cyclohexylmethyl)-1H-imidazo[4,5-b]pyrazin-2-one (CID 67318652) is 3-(cyclohexylmethyl)-1H-imidazo[4,5-b]pyrazin-2-one.
What is the SMILES notation for 3-(cyclohexylmethyl)-1H-imidazo[4,5-b]pyrazin-2-one?
The canonical SMILES for 3-(cyclohexylmethyl)-1H-imidazo[4,5-b]pyrazin-2-one is O=c1[nH]c2nccnc2n1CC1CCCCC1.
What is the InChIKey of 3-(cyclohexylmethyl)-1H-imidazo[4,5-b]pyrazin-2-one?
The InChIKey is PQRALBVLDSZDBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c17-12-15-10-11(14-7-6-13-10)16(12)8-9-4-2-1-3-5-9/h6-7,9H,1-5,8H2,(H,13,15,17).
What are the key properties of 3-(cyclohexylmethyl)-1H-imidazo[4,5-b]pyrazin-2-one?
3-(cyclohexylmethyl)-1H-imidazo[4,5-b]pyrazin-2-one has a molecular weight of 232.29 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylmethyl)-1H-imidazo[4,5-b]pyrazin-2-one is sourced from PubChem (CID 67318652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).