ethyl 5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxylate;hydrate;dihydrochloride

C9H17Cl2N3O3 — CID 18525864

IUPACethyl 5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxylate;hydrate;dihydrochloride
SMILESCCOC(=O)c1cn2c(n1)CNCC2.Cl.Cl.O
InChIInChI=1S/C9H13N3O2.2ClH.H2O/c1-2-14-9(13)7-6-12-4-3-10-5-8(12)11-7;;;/h6,10H,2-5H2,1H3;2*1H;1H2
InChIKeyFVACSCIVHHZRPL-UHFFFAOYSA-N
MW286.16 g/mol
LogP0.18
Rot. Bonds2

About ethyl 5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxylate;hydrate;dihydrochloride

ethyl 5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxylate;hydrate;dihydrochloride (PubChem CID 18525864) has the molecular formula C9H17Cl2N3O3 and a molecular weight of 286.16 g/mol. Its IUPAC name is ethyl 5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxylate;hydrate;dihydrochloride.

Molecular Properties

Compound Nameethyl 5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxylate;hydrate;dihydrochloride
PubChem CID18525864
Molecular FormulaC9H17Cl2N3O3
Molecular Weight286.16 g/mol
Exact Mass285.06
IUPAC Nameethyl 5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxylate;hydrate;dihydrochloride
SMILESCCOC(=O)c1cn2c(n1)CNCC2.Cl.Cl.O
InChIInChI=1S/C9H13N3O2.2ClH.H2O/c1-2-14-9(13)7-6-12-4-3-10-5-8(12)11-7;;;/h6,10H,2-5H2,1H3;2*1H;1H2
InChIKeyFVACSCIVHHZRPL-UHFFFAOYSA-N
XLogP0.18
TPSA87.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.16
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl (8R)-8-(methylamino)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxylate
CID 94034631
ethyl (4aS,8aR)-6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carbonyl)-1,2,3,4,5,7,8,8a-octahydro-1,6-naphthyridine-4a-carboxylate
CID 56888873
ethyl 6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazine-2-carboxylate
CID 18183087
(1-ethoxycyclopropyl)oxy-trimethylsilane;methyl 7-cyclopropyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate;methyl 5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxylate
CID 158698305
ethyl 6-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylate
CID 138646151
ethyl 7-methyl-5H-imidazo[1,2-b]pyrazole-2-carboxylate
CID 82590214
2-[(2R)-butan-2-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine
CID 94985164
N-[(4R)-2,2-dimethyloxan-4-yl]-N-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxamide
CID 95728897
ethyl 3-cyclopropyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxylate;hydrochloride
CID 177302939
ethyl (6R)-6-(4-fluorophenyl)-8-oxo-6,7-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate
CID 124845059
ethyl 2-sulfanylidene-3H-imidazo[2,1-b][1,3,4]thiadiazole-6-carboxylate
CID 139652055
ethyl 6-oxo-5H-imidazo[1,2-b]pyridazine-2-carboxylate
CID 131439618

Frequently Asked Questions

What is the IUPAC name of ethyl 5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxylate;hydrate;dihydrochloride?
The IUPAC name of ethyl 5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxylate;hydrate;dihydrochloride (CID 18525864) is ethyl 5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxylate;hydrate;dihydrochloride.
What is the SMILES notation for ethyl 5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxylate;hydrate;dihydrochloride?
The canonical SMILES for ethyl 5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxylate;hydrate;dihydrochloride is CCOC(=O)c1cn2c(n1)CNCC2.Cl.Cl.O.
What is the InChIKey of ethyl 5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxylate;hydrate;dihydrochloride?
The InChIKey is FVACSCIVHHZRPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2.2ClH.H2O/c1-2-14-9(13)7-6-12-4-3-10-5-8(12)11-7;;;/h6,10H,2-5H2,1H3;2*1H;1H2.
What are the key properties of ethyl 5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxylate;hydrate;dihydrochloride?
ethyl 5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxylate;hydrate;dihydrochloride has a molecular weight of 286.16 g/mol, XLogP of 0.18, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxylate;hydrate;dihydrochloride is sourced from PubChem (CID 18525864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).