1-(cyclopropylmethyl)-5-[(E)-5-hydroxypent-1-enyl]-3H-imidazo[4,5-b]pyrazin-2-one

C14H18N4O2 — CID 126473204

IUPAC1-(cyclopropylmethyl)-5-[(E)-5-hydroxypent-1-enyl]-3H-imidazo[4,5-b]pyrazin-2-one
SMILESO=c1[nH]c2nc(/C=C/CCCO)cnc2n1CC1CC1
InChIInChI=1S/C14H18N4O2/c19-7-3-1-2-4-11-8-15-13-12(16-11)17-14(20)18(13)9-10-5-6-10/h2,4,8,10,19H,1,3,5-7,9H2,(H,16,17,20)/b4-2+
InChIKeyKTVGNVSCDXGBBZ-DUXPYHPUSA-N
MW274.32 g/mol
LogP1.32
Rot. Bonds6

About 1-(cyclopropylmethyl)-5-[(E)-5-hydroxypent-1-enyl]-3H-imidazo[4,5-b]pyrazin-2-one

1-(cyclopropylmethyl)-5-[(E)-5-hydroxypent-1-enyl]-3H-imidazo[4,5-b]pyrazin-2-one (PubChem CID 126473204) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-5-[(E)-5-hydroxypent-1-enyl]-3H-imidazo[4,5-b]pyrazin-2-one.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-5-[(E)-5-hydroxypent-1-enyl]-3H-imidazo[4,5-b]pyrazin-2-one
PubChem CID126473204
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name1-(cyclopropylmethyl)-5-[(E)-5-hydroxypent-1-enyl]-3H-imidazo[4,5-b]pyrazin-2-one
SMILESO=c1[nH]c2nc(/C=C/CCCO)cnc2n1CC1CC1
InChIInChI=1S/C14H18N4O2/c19-7-3-1-2-4-11-8-15-13-12(16-11)17-14(20)18(13)9-10-5-6-10/h2,4,8,10,19H,1,3,5-7,9H2,(H,16,17,20)/b4-2+
InChIKeyKTVGNVSCDXGBBZ-DUXPYHPUSA-N
XLogP1.32
TPSA83.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-5-[(E)-5-hydroxypent-1-enyl]-3H-imidazo[4,5-b]pyrazin-2-one?
The IUPAC name of 1-(cyclopropylmethyl)-5-[(E)-5-hydroxypent-1-enyl]-3H-imidazo[4,5-b]pyrazin-2-one (CID 126473204) is 1-(cyclopropylmethyl)-5-[(E)-5-hydroxypent-1-enyl]-3H-imidazo[4,5-b]pyrazin-2-one.
What is the SMILES notation for 1-(cyclopropylmethyl)-5-[(E)-5-hydroxypent-1-enyl]-3H-imidazo[4,5-b]pyrazin-2-one?
The canonical SMILES for 1-(cyclopropylmethyl)-5-[(E)-5-hydroxypent-1-enyl]-3H-imidazo[4,5-b]pyrazin-2-one is O=c1[nH]c2nc(/C=C/CCCO)cnc2n1CC1CC1.
What is the InChIKey of 1-(cyclopropylmethyl)-5-[(E)-5-hydroxypent-1-enyl]-3H-imidazo[4,5-b]pyrazin-2-one?
The InChIKey is KTVGNVSCDXGBBZ-DUXPYHPUSA-N. The full InChI is InChI=1S/C14H18N4O2/c19-7-3-1-2-4-11-8-15-13-12(16-11)17-14(20)18(13)9-10-5-6-10/h2,4,8,10,19H,1,3,5-7,9H2,(H,16,17,20)/b4-2+.
What are the key properties of 1-(cyclopropylmethyl)-5-[(E)-5-hydroxypent-1-enyl]-3H-imidazo[4,5-b]pyrazin-2-one?
1-(cyclopropylmethyl)-5-[(E)-5-hydroxypent-1-enyl]-3H-imidazo[4,5-b]pyrazin-2-one has a molecular weight of 274.32 g/mol, XLogP of 1.32, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-5-[(E)-5-hydroxypent-1-enyl]-3H-imidazo[4,5-b]pyrazin-2-one is sourced from PubChem (CID 126473204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).