2-ethyl-3,6-dihydropyrido[3,4-b]pyrazin-3-id-5-one;rhenium

C9H8N3ORe- — CID 149402130

IUPAC2-ethyl-3,6-dihydropyrido[3,4-b]pyrazin-3-id-5-one;rhenium
SMILESCCc1[c-]nc2c(=O)[nH]ccc2n1.[Re]
InChIInChI=1S/C9H8N3O.Re/c1-2-6-5-11-8-7(12-6)3-4-10-9(8)13;/h3-4H,2H2,1H3,(H,10,13);/q-1;
InChIKeyOTQNJTCTPFRVMX-UHFFFAOYSA-N
MW360.39 g/mol
LogP0.68
Rot. Bonds1

About 2-ethyl-3,6-dihydropyrido[3,4-b]pyrazin-3-id-5-one;rhenium

2-ethyl-3,6-dihydropyrido[3,4-b]pyrazin-3-id-5-one;rhenium (PubChem CID 149402130) has the molecular formula C9H8N3ORe- and a molecular weight of 360.39 g/mol. Its IUPAC name is 2-ethyl-3,6-dihydropyrido[3,4-b]pyrazin-3-id-5-one;rhenium.

Molecular Properties

Compound Name2-ethyl-3,6-dihydropyrido[3,4-b]pyrazin-3-id-5-one;rhenium
PubChem CID149402130
Molecular FormulaC9H8N3ORe-
Molecular Weight360.39 g/mol
Exact Mass361.02
IUPAC Name2-ethyl-3,6-dihydropyrido[3,4-b]pyrazin-3-id-5-one;rhenium
SMILESCCc1[c-]nc2c(=O)[nH]ccc2n1.[Re]
InChIInChI=1S/C9H8N3O.Re/c1-2-6-5-11-8-7(12-6)3-4-10-9(8)13;/h3-4H,2H2,1H3,(H,10,13);/q-1;
InChIKeyOTQNJTCTPFRVMX-UHFFFAOYSA-N
XLogP0.68
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-6H-pyrido[3,4-b]pyrazin-5-one
CID 149402131
2,3-dimethoxy-6H-pyrido[3,4-b]pyrazin-5-one
CID 176774328
2-methoxy-6H-pyrido[3,4-b]pyrazin-5-one
CID 122435153
3-ethyl-2,6-dihydropyrazolo[3,4-c]pyridin-7-one
CID 15832608
ethane;4-ethyl-3-methyl-1H-pyridin-2-one
CID 155712799
2-(methylamino)-7H-1,7-naphthyridin-8-one
CID 142879401
2-chloro-3-ethyl-5H-pyrrolo[3,2-d]pyrimidin-4-one
CID 154641367
3-[(Z)-prop-1-enyl]-7H-1,7-naphthyridin-8-one
CID 70291895
3-methyl-2,6-dihydropyrazolo[3,4-c]pyridin-7-one
CID 130251567
2-amino-4-[[(3R)-hexan-3-yl]amino]-6H-pyrido[4,3-d]pyrimidin-5-one
CID 170186453
3-[(4-ethylphenyl)methyl]-1H-pyrazin-2-one
CID 23103620
2-amino-4-butoxy-6H-pyrido[4,3-d]pyrimidin-5-one
CID 170186267

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3,6-dihydropyrido[3,4-b]pyrazin-3-id-5-one;rhenium?
The IUPAC name of 2-ethyl-3,6-dihydropyrido[3,4-b]pyrazin-3-id-5-one;rhenium (CID 149402130) is 2-ethyl-3,6-dihydropyrido[3,4-b]pyrazin-3-id-5-one;rhenium.
What is the SMILES notation for 2-ethyl-3,6-dihydropyrido[3,4-b]pyrazin-3-id-5-one;rhenium?
The canonical SMILES for 2-ethyl-3,6-dihydropyrido[3,4-b]pyrazin-3-id-5-one;rhenium is CCc1[c-]nc2c(=O)[nH]ccc2n1.[Re].
What is the InChIKey of 2-ethyl-3,6-dihydropyrido[3,4-b]pyrazin-3-id-5-one;rhenium?
The InChIKey is OTQNJTCTPFRVMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N3O.Re/c1-2-6-5-11-8-7(12-6)3-4-10-9(8)13;/h3-4H,2H2,1H3,(H,10,13);/q-1;.
What are the key properties of 2-ethyl-3,6-dihydropyrido[3,4-b]pyrazin-3-id-5-one;rhenium?
2-ethyl-3,6-dihydropyrido[3,4-b]pyrazin-3-id-5-one;rhenium has a molecular weight of 360.39 g/mol, XLogP of 0.68, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3,6-dihydropyrido[3,4-b]pyrazin-3-id-5-one;rhenium is sourced from PubChem (CID 149402130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).