3-[3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)propyl]imidazolidine-2,4-dione

C12H17N5O2 — CID 86774840

IUPAC3-[3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)propyl]imidazolidine-2,4-dione
SMILESO=C1CNC(=O)N1CCCN1CCn2ccnc2C1
InChIInChI=1S/C12H17N5O2/c18-11-8-14-12(19)17(11)4-1-3-15-6-7-16-5-2-13-10(16)9-15/h2,5H,1,3-4,6-9H2,(H,14,19)
InChIKeyLBHKVFFDYCKUEC-UHFFFAOYSA-N
MW263.30 g/mol
LogP-0.36
Rot. Bonds4

About 3-[3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)propyl]imidazolidine-2,4-dione

3-[3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)propyl]imidazolidine-2,4-dione (PubChem CID 86774840) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is 3-[3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)propyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)propyl]imidazolidine-2,4-dione
PubChem CID86774840
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC Name3-[3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)propyl]imidazolidine-2,4-dione
SMILESO=C1CNC(=O)N1CCCN1CCn2ccnc2C1
InChIInChI=1S/C12H17N5O2/c18-11-8-14-12(19)17(11)4-1-3-15-6-7-16-5-2-13-10(16)9-15/h2,5H,1,3-4,6-9H2,(H,14,19)
InChIKeyLBHKVFFDYCKUEC-UHFFFAOYSA-N
XLogP-0.36
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)propyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)propyl]imidazolidine-2,4-dione (CID 86774840) is 3-[3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)propyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)propyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)propyl]imidazolidine-2,4-dione is O=C1CNC(=O)N1CCCN1CCn2ccnc2C1.
What is the InChIKey of 3-[3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)propyl]imidazolidine-2,4-dione?
The InChIKey is LBHKVFFDYCKUEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2/c18-11-8-14-12(19)17(11)4-1-3-15-6-7-16-5-2-13-10(16)9-15/h2,5H,1,3-4,6-9H2,(H,14,19).
What are the key properties of 3-[3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)propyl]imidazolidine-2,4-dione?
3-[3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)propyl]imidazolidine-2,4-dione has a molecular weight of 263.30 g/mol, XLogP of -0.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)propyl]imidazolidine-2,4-dione is sourced from PubChem (CID 86774840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).