tert-butyl 3-cyclopropyl-1-ethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate

C16H25N3O2 — CID 138635797

IUPACtert-butyl 3-cyclopropyl-1-ethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate
SMILESCCc1nc(C2CC2)n2c1CN(C(=O)OC(C)(C)C)CC2
InChIInChI=1S/C16H25N3O2/c1-5-12-13-10-18(15(20)21-16(2,3)4)8-9-19(13)14(17-12)11-6-7-11/h11H,5-10H2,1-4H3
InChIKeyQESXBYWACAQWSO-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.07
Rot. Bonds2

About tert-butyl 3-cyclopropyl-1-ethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate

tert-butyl 3-cyclopropyl-1-ethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate (PubChem CID 138635797) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is tert-butyl 3-cyclopropyl-1-ethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-cyclopropyl-1-ethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate
PubChem CID138635797
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Nametert-butyl 3-cyclopropyl-1-ethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate
SMILESCCc1nc(C2CC2)n2c1CN(C(=O)OC(C)(C)C)CC2
InChIInChI=1S/C16H25N3O2/c1-5-12-13-10-18(15(20)21-16(2,3)4)8-9-19(13)14(17-12)11-6-7-11/h11H,5-10H2,1-4H3
InChIKeyQESXBYWACAQWSO-UHFFFAOYSA-N
XLogP3.07
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclopropyl-1-ethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylic acid
CID 138635844
tert-butyl 3-ethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
CID 169193876
tert-butyl 3-cyclopentyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
CID 121484167
tert-butyl 3-(aminomethyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxylate
CID 83854645
tert-butyl 1-(2-oxopropylamino)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate
CID 157300836
ditert-butyl 6-methylidene-1,4-diazepane-1,4-dicarboxylate
CID 71305475
tert-butyl 4-cyano-3-oxopiperidine-1-carboxylate
CID 71695402
tert-butyl 3-(4,5-diethyl-1H-imidazol-2-yl)azetidine-1-carboxylate
CID 102970103
tert-butyl 3-alumanyl-2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate
CID 162586824
2-tert-butyl-7-[(2-methylpropan-2-yl)oxycarbonyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxylic acid
CID 125454860
tert-butyl 2-cyclopropyl-4-methoxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate
CID 142599635
tert-butyl 3-amino-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate
CID 83382871

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-cyclopropyl-1-ethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate?
The IUPAC name of tert-butyl 3-cyclopropyl-1-ethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate (CID 138635797) is tert-butyl 3-cyclopropyl-1-ethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate.
What is the SMILES notation for tert-butyl 3-cyclopropyl-1-ethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate?
The canonical SMILES for tert-butyl 3-cyclopropyl-1-ethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate is CCc1nc(C2CC2)n2c1CN(C(=O)OC(C)(C)C)CC2.
What is the InChIKey of tert-butyl 3-cyclopropyl-1-ethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate?
The InChIKey is QESXBYWACAQWSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-5-12-13-10-18(15(20)21-16(2,3)4)8-9-19(13)14(17-12)11-6-7-11/h11H,5-10H2,1-4H3.
What are the key properties of tert-butyl 3-cyclopropyl-1-ethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate?
tert-butyl 3-cyclopropyl-1-ethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate has a molecular weight of 291.39 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-cyclopropyl-1-ethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate is sourced from PubChem (CID 138635797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).