5-chloro-1,2-dimethyl-3,4-dihydro-2H-pyrido[3,4-b]pyrazine

C9H12ClN3 — CID 138108148

IUPAC5-chloro-1,2-dimethyl-3,4-dihydro-2H-pyrido[3,4-b]pyrazine
SMILESCC1CNc2c(ccnc2Cl)N1C
InChIInChI=1S/C9H12ClN3/c1-6-5-12-8-7(13(6)2)3-4-11-9(8)10/h3-4,6,12H,5H2,1-2H3
InChIKeyVKLZDTCTLVJVGN-UHFFFAOYSA-N
MW197.67 g/mol
LogP1.99
Rot. Bonds

About 5-chloro-1,2-dimethyl-3,4-dihydro-2H-pyrido[3,4-b]pyrazine

5-chloro-1,2-dimethyl-3,4-dihydro-2H-pyrido[3,4-b]pyrazine (PubChem CID 138108148) has the molecular formula C9H12ClN3 and a molecular weight of 197.67 g/mol. Its IUPAC name is 5-chloro-1,2-dimethyl-3,4-dihydro-2H-pyrido[3,4-b]pyrazine.

Molecular Properties

Compound Name5-chloro-1,2-dimethyl-3,4-dihydro-2H-pyrido[3,4-b]pyrazine
PubChem CID138108148
Molecular FormulaC9H12ClN3
Molecular Weight197.67 g/mol
Exact Mass197.07
IUPAC Name5-chloro-1,2-dimethyl-3,4-dihydro-2H-pyrido[3,4-b]pyrazine
SMILESCC1CNc2c(ccnc2Cl)N1C
InChIInChI=1S/C9H12ClN3/c1-6-5-12-8-7(13(6)2)3-4-11-9(8)10/h3-4,6,12H,5H2,1-2H3
InChIKeyVKLZDTCTLVJVGN-UHFFFAOYSA-N
XLogP1.99
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.67
LogP ≤ 51.99
H-Bond Donors ≤ 51
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 5-chloro-1,2-dimethyl-3,4-dihydro-2H-pyrido[3,4-b]pyrazine?
The IUPAC name of 5-chloro-1,2-dimethyl-3,4-dihydro-2H-pyrido[3,4-b]pyrazine (CID 138108148) is 5-chloro-1,2-dimethyl-3,4-dihydro-2H-pyrido[3,4-b]pyrazine.
What is the SMILES notation for 5-chloro-1,2-dimethyl-3,4-dihydro-2H-pyrido[3,4-b]pyrazine?
The canonical SMILES for 5-chloro-1,2-dimethyl-3,4-dihydro-2H-pyrido[3,4-b]pyrazine is CC1CNc2c(ccnc2Cl)N1C.
What is the InChIKey of 5-chloro-1,2-dimethyl-3,4-dihydro-2H-pyrido[3,4-b]pyrazine?
The InChIKey is VKLZDTCTLVJVGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3/c1-6-5-12-8-7(13(6)2)3-4-11-9(8)10/h3-4,6,12H,5H2,1-2H3.
What are the key properties of 5-chloro-1,2-dimethyl-3,4-dihydro-2H-pyrido[3,4-b]pyrazine?
5-chloro-1,2-dimethyl-3,4-dihydro-2H-pyrido[3,4-b]pyrazine has a molecular weight of 197.67 g/mol, XLogP of 1.99, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1,2-dimethyl-3,4-dihydro-2H-pyrido[3,4-b]pyrazine is sourced from PubChem (CID 138108148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).