methyl 2-(prop-2-enylcarbamoyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate

C12H16N4O3 — CID 134789604

IUPACmethyl 2-(prop-2-enylcarbamoyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate
SMILESC=CCNC(=O)c1cn2c(n1)CN(C(=O)OC)CC2
InChIInChI=1S/C12H16N4O3/c1-3-4-13-11(17)9-7-15-5-6-16(12(18)19-2)8-10(15)14-9/h3,7H,1,4-6,8H2,2H3,(H,13,17)
InChIKeyMCRSTJVQQYBNLK-UHFFFAOYSA-N
MW264.28 g/mol
LogP0.38
Rot. Bonds3

About methyl 2-(prop-2-enylcarbamoyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate

methyl 2-(prop-2-enylcarbamoyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate (PubChem CID 134789604) has the molecular formula C12H16N4O3 and a molecular weight of 264.28 g/mol. Its IUPAC name is methyl 2-(prop-2-enylcarbamoyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate.

Molecular Properties

Compound Namemethyl 2-(prop-2-enylcarbamoyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate
PubChem CID134789604
Molecular FormulaC12H16N4O3
Molecular Weight264.28 g/mol
Exact Mass264.12
IUPAC Namemethyl 2-(prop-2-enylcarbamoyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate
SMILESC=CCNC(=O)c1cn2c(n1)CN(C(=O)OC)CC2
InChIInChI=1S/C12H16N4O3/c1-3-4-13-11(17)9-7-15-5-6-16(12(18)19-2)8-10(15)14-9/h3,7H,1,4-6,8H2,2H3,(H,13,17)
InChIKeyMCRSTJVQQYBNLK-UHFFFAOYSA-N
XLogP0.38
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(prop-2-enylcarbamoyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate?
The IUPAC name of methyl 2-(prop-2-enylcarbamoyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate (CID 134789604) is methyl 2-(prop-2-enylcarbamoyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate.
What is the SMILES notation for methyl 2-(prop-2-enylcarbamoyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate?
The canonical SMILES for methyl 2-(prop-2-enylcarbamoyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate is C=CCNC(=O)c1cn2c(n1)CN(C(=O)OC)CC2.
What is the InChIKey of methyl 2-(prop-2-enylcarbamoyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate?
The InChIKey is MCRSTJVQQYBNLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3/c1-3-4-13-11(17)9-7-15-5-6-16(12(18)19-2)8-10(15)14-9/h3,7H,1,4-6,8H2,2H3,(H,13,17).
What are the key properties of methyl 2-(prop-2-enylcarbamoyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate?
methyl 2-(prop-2-enylcarbamoyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate has a molecular weight of 264.28 g/mol, XLogP of 0.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(prop-2-enylcarbamoyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate is sourced from PubChem (CID 134789604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).