(2R)-7-chloro-2,4-dimethyl-1-propan-2-yl-2H-pyrido[3,4-b]pyrazin-3-one

C12H16ClN3O — CID 118608686

IUPAC(2R)-7-chloro-2,4-dimethyl-1-propan-2-yl-2H-pyrido[3,4-b]pyrazin-3-one
SMILESCC(C)N1c2cc(Cl)ncc2N(C)C(=O)[C@H]1C
InChIInChI=1S/C12H16ClN3O/c1-7(2)16-8(3)12(17)15(4)10-6-14-11(13)5-9(10)16/h5-8H,1-4H3/t8-/m1/s1
InChIKeyMHAHVQCAMQYAKF-MRVPVSSYSA-N
MW253.73 g/mol
LogP2.31
Rot. Bonds1

About (2R)-7-chloro-2,4-dimethyl-1-propan-2-yl-2H-pyrido[3,4-b]pyrazin-3-one

(2R)-7-chloro-2,4-dimethyl-1-propan-2-yl-2H-pyrido[3,4-b]pyrazin-3-one (PubChem CID 118608686) has the molecular formula C12H16ClN3O and a molecular weight of 253.73 g/mol. Its IUPAC name is (2R)-7-chloro-2,4-dimethyl-1-propan-2-yl-2H-pyrido[3,4-b]pyrazin-3-one.

Molecular Properties

Compound Name(2R)-7-chloro-2,4-dimethyl-1-propan-2-yl-2H-pyrido[3,4-b]pyrazin-3-one
PubChem CID118608686
Molecular FormulaC12H16ClN3O
Molecular Weight253.73 g/mol
Exact Mass253.10
IUPAC Name(2R)-7-chloro-2,4-dimethyl-1-propan-2-yl-2H-pyrido[3,4-b]pyrazin-3-one
SMILESCC(C)N1c2cc(Cl)ncc2N(C)C(=O)[C@H]1C
InChIInChI=1S/C12H16ClN3O/c1-7(2)16-8(3)12(17)15(4)10-6-14-11(13)5-9(10)16/h5-8H,1-4H3/t8-/m1/s1
InChIKeyMHAHVQCAMQYAKF-MRVPVSSYSA-N
XLogP2.31
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-7-chloro-2,4-dimethyl-1-propan-2-yl-2H-pyrido[3,4-b]pyrazin-3-one?
The IUPAC name of (2R)-7-chloro-2,4-dimethyl-1-propan-2-yl-2H-pyrido[3,4-b]pyrazin-3-one (CID 118608686) is (2R)-7-chloro-2,4-dimethyl-1-propan-2-yl-2H-pyrido[3,4-b]pyrazin-3-one.
What is the SMILES notation for (2R)-7-chloro-2,4-dimethyl-1-propan-2-yl-2H-pyrido[3,4-b]pyrazin-3-one?
The canonical SMILES for (2R)-7-chloro-2,4-dimethyl-1-propan-2-yl-2H-pyrido[3,4-b]pyrazin-3-one is CC(C)N1c2cc(Cl)ncc2N(C)C(=O)[C@H]1C.
What is the InChIKey of (2R)-7-chloro-2,4-dimethyl-1-propan-2-yl-2H-pyrido[3,4-b]pyrazin-3-one?
The InChIKey is MHAHVQCAMQYAKF-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H16ClN3O/c1-7(2)16-8(3)12(17)15(4)10-6-14-11(13)5-9(10)16/h5-8H,1-4H3/t8-/m1/s1.
What are the key properties of (2R)-7-chloro-2,4-dimethyl-1-propan-2-yl-2H-pyrido[3,4-b]pyrazin-3-one?
(2R)-7-chloro-2,4-dimethyl-1-propan-2-yl-2H-pyrido[3,4-b]pyrazin-3-one has a molecular weight of 253.73 g/mol, XLogP of 2.31, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-7-chloro-2,4-dimethyl-1-propan-2-yl-2H-pyrido[3,4-b]pyrazin-3-one is sourced from PubChem (CID 118608686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).