benzyl 3H-imidazo[1,2-a]pyrazine-7-carboxylate

C14H13N3O2 — CID 150328218

IUPACbenzyl 3H-imidazo[1,2-a]pyrazine-7-carboxylate
SMILESO=C(OCc1ccccc1)N1C=CN2CC=NC2=C1
InChIInChI=1S/C14H13N3O2/c18-14(19-11-12-4-2-1-3-5-12)17-9-8-16-7-6-15-13(16)10-17/h1-6,8-10H,7,11H2
InChIKeyGPBXKEVZNCLLOE-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.30
Rot. Bonds2

About benzyl 3H-imidazo[1,2-a]pyrazine-7-carboxylate

benzyl 3H-imidazo[1,2-a]pyrazine-7-carboxylate (PubChem CID 150328218) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is benzyl 3H-imidazo[1,2-a]pyrazine-7-carboxylate.

Molecular Properties

Compound Namebenzyl 3H-imidazo[1,2-a]pyrazine-7-carboxylate
PubChem CID150328218
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Namebenzyl 3H-imidazo[1,2-a]pyrazine-7-carboxylate
SMILESO=C(OCc1ccccc1)N1C=CN2CC=NC2=C1
InChIInChI=1S/C14H13N3O2/c18-14(19-11-12-4-2-1-3-5-12)17-9-8-16-7-6-15-13(16)10-17/h1-6,8-10H,7,11H2
InChIKeyGPBXKEVZNCLLOE-UHFFFAOYSA-N
XLogP2.30
TPSA45.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 90930126
benzyl 2-acetyl-3-oxobutanoate
CID 15496135
benzyl piperidine-1-carboxylate
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benzyl 6-methyl-3,6-diazabicyclo[3.1.0]hexane-3-carboxylate
CID 178029829
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CID 143937845

Frequently Asked Questions

What is the IUPAC name of benzyl 3H-imidazo[1,2-a]pyrazine-7-carboxylate?
The IUPAC name of benzyl 3H-imidazo[1,2-a]pyrazine-7-carboxylate (CID 150328218) is benzyl 3H-imidazo[1,2-a]pyrazine-7-carboxylate.
What is the SMILES notation for benzyl 3H-imidazo[1,2-a]pyrazine-7-carboxylate?
The canonical SMILES for benzyl 3H-imidazo[1,2-a]pyrazine-7-carboxylate is O=C(OCc1ccccc1)N1C=CN2CC=NC2=C1.
What is the InChIKey of benzyl 3H-imidazo[1,2-a]pyrazine-7-carboxylate?
The InChIKey is GPBXKEVZNCLLOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c18-14(19-11-12-4-2-1-3-5-12)17-9-8-16-7-6-15-13(16)10-17/h1-6,8-10H,7,11H2.
What are the key properties of benzyl 3H-imidazo[1,2-a]pyrazine-7-carboxylate?
benzyl 3H-imidazo[1,2-a]pyrazine-7-carboxylate has a molecular weight of 255.28 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3H-imidazo[1,2-a]pyrazine-7-carboxylate is sourced from PubChem (CID 150328218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).