tert-butyl 2-(cyclopropanecarbonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate

C15H21N3O3 — CID 69383303

IUPACtert-butyl 2-(cyclopropanecarbonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate
SMILESCC(C)(C)OC(=O)N1CCn2cc(C(=O)C3CC3)nc2C1
InChIInChI=1S/C15H21N3O3/c1-15(2,3)21-14(20)18-7-6-17-8-11(16-12(17)9-18)13(19)10-4-5-10/h8,10H,4-7,9H2,1-3H3
InChIKeyOLMPMUARMSVWHV-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.23
Rot. Bonds2

About tert-butyl 2-(cyclopropanecarbonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate

tert-butyl 2-(cyclopropanecarbonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate (PubChem CID 69383303) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is tert-butyl 2-(cyclopropanecarbonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(cyclopropanecarbonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate
PubChem CID69383303
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Nametert-butyl 2-(cyclopropanecarbonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate
SMILESCC(C)(C)OC(=O)N1CCn2cc(C(=O)C3CC3)nc2C1
InChIInChI=1S/C15H21N3O3/c1-15(2,3)21-14(20)18-7-6-17-8-11(16-12(17)9-18)13(19)10-4-5-10/h8,10H,4-7,9H2,1-3H3
InChIKeyOLMPMUARMSVWHV-UHFFFAOYSA-N
XLogP2.23
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(cyclopropanecarbonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate?
The IUPAC name of tert-butyl 2-(cyclopropanecarbonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate (CID 69383303) is tert-butyl 2-(cyclopropanecarbonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate.
What is the SMILES notation for tert-butyl 2-(cyclopropanecarbonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate?
The canonical SMILES for tert-butyl 2-(cyclopropanecarbonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate is CC(C)(C)OC(=O)N1CCn2cc(C(=O)C3CC3)nc2C1.
What is the InChIKey of tert-butyl 2-(cyclopropanecarbonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate?
The InChIKey is OLMPMUARMSVWHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-15(2,3)21-14(20)18-7-6-17-8-11(16-12(17)9-18)13(19)10-4-5-10/h8,10H,4-7,9H2,1-3H3.
What are the key properties of tert-butyl 2-(cyclopropanecarbonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate?
tert-butyl 2-(cyclopropanecarbonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate has a molecular weight of 291.35 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(cyclopropanecarbonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate is sourced from PubChem (CID 69383303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).