3-pentan-3-yl-5-prop-1-enyl-1H-imidazo[4,5-b]pyrazin-2-one

C13H18N4O — CID 66864103

IUPAC3-pentan-3-yl-5-prop-1-enyl-1H-imidazo[4,5-b]pyrazin-2-one
SMILESCC=Cc1cnc2[nH]c(=O)n(C(CC)CC)c2n1
InChIInChI=1S/C13H18N4O/c1-4-7-9-8-14-11-12(15-9)17(13(18)16-11)10(5-2)6-3/h4,7-8,10H,5-6H2,1-3H3,(H,14,16,18)
InChIKeyWYRAXYZTIXGPNA-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.51
Rot. Bonds4

About 3-pentan-3-yl-5-prop-1-enyl-1H-imidazo[4,5-b]pyrazin-2-one

3-pentan-3-yl-5-prop-1-enyl-1H-imidazo[4,5-b]pyrazin-2-one (PubChem CID 66864103) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 3-pentan-3-yl-5-prop-1-enyl-1H-imidazo[4,5-b]pyrazin-2-one.

Molecular Properties

Compound Name3-pentan-3-yl-5-prop-1-enyl-1H-imidazo[4,5-b]pyrazin-2-one
PubChem CID66864103
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name3-pentan-3-yl-5-prop-1-enyl-1H-imidazo[4,5-b]pyrazin-2-one
SMILESCC=Cc1cnc2[nH]c(=O)n(C(CC)CC)c2n1
InChIInChI=1S/C13H18N4O/c1-4-7-9-8-14-11-12(15-9)17(13(18)16-11)10(5-2)6-3/h4,7-8,10H,5-6H2,1-3H3,(H,14,16,18)
InChIKeyWYRAXYZTIXGPNA-UHFFFAOYSA-N
XLogP2.51
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-3-pentan-3-yl-1H-imidazo[4,5-b]pyrazin-2-one
CID 57880839
5-ethenyl-3-pentan-3-yl-1H-imidazo[4,5-b]pyrazin-2-one
CID 66863631
5-[(E)-hex-1-enyl]-3-(3-methoxypropyl)-1H-imidazo[4,5-b]pyrazin-2-one
CID 126472190
5-[(E)-hex-1-enyl]-3-(oxan-4-yl)-1H-imidazo[4,5-b]pyrazin-2-one
CID 172436818
5-[(E)-hex-1-enyl]-3-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1H-imidazo[4,5-b]pyrazin-2-one
CID 172437036
5-[(E)-hex-1-enyl]-1-(2-methoxyethyl)-3H-imidazo[4,5-b]pyrazin-2-one
CID 126471159
5-[(E)-5-hydroxypent-1-enyl]-1-(2-methylpropyl)-3H-imidazo[4,5-b]pyrazin-2-one
CID 126471651
5-[(E)-5-hydroxypent-1-enyl]-1-(3-methoxypropyl)-3H-imidazo[4,5-b]pyrazin-2-one
CID 126472306
5-[(E)-hex-1-enyl]-3-(3-morpholin-4-ylpropyl)-1H-imidazo[4,5-b]pyrazin-2-one
CID 126473134
1-(cyclopropylmethyl)-5-[(E)-5-hydroxypent-1-enyl]-3H-imidazo[4,5-b]pyrazin-2-one
CID 126473204
3,7-dimethyl-6H-imidazo[1,5-c]pyrimidin-5-one
CID 13339922
5-ethyl-3-pentan-3-yl-1H-imidazo[4,5-b]pyrazin-2-one
CID 24815328

Frequently Asked Questions

What is the IUPAC name of 3-pentan-3-yl-5-prop-1-enyl-1H-imidazo[4,5-b]pyrazin-2-one?
The IUPAC name of 3-pentan-3-yl-5-prop-1-enyl-1H-imidazo[4,5-b]pyrazin-2-one (CID 66864103) is 3-pentan-3-yl-5-prop-1-enyl-1H-imidazo[4,5-b]pyrazin-2-one.
What is the SMILES notation for 3-pentan-3-yl-5-prop-1-enyl-1H-imidazo[4,5-b]pyrazin-2-one?
The canonical SMILES for 3-pentan-3-yl-5-prop-1-enyl-1H-imidazo[4,5-b]pyrazin-2-one is CC=Cc1cnc2[nH]c(=O)n(C(CC)CC)c2n1.
What is the InChIKey of 3-pentan-3-yl-5-prop-1-enyl-1H-imidazo[4,5-b]pyrazin-2-one?
The InChIKey is WYRAXYZTIXGPNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-4-7-9-8-14-11-12(15-9)17(13(18)16-11)10(5-2)6-3/h4,7-8,10H,5-6H2,1-3H3,(H,14,16,18).
What are the key properties of 3-pentan-3-yl-5-prop-1-enyl-1H-imidazo[4,5-b]pyrazin-2-one?
3-pentan-3-yl-5-prop-1-enyl-1H-imidazo[4,5-b]pyrazin-2-one has a molecular weight of 246.31 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pentan-3-yl-5-prop-1-enyl-1H-imidazo[4,5-b]pyrazin-2-one is sourced from PubChem (CID 66864103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).