8-methyl-1,2,3,4,4a,5-hexahydropyrido[2,3-b]pyrazine

C8H13N3 — CID 86340920

IUPAC8-methyl-1,2,3,4,4a,5-hexahydropyrido[2,3-b]pyrazine
SMILESCC1=C2NCCNC2NC=C1
InChIInChI=1S/C8H13N3/c1-6-2-3-10-8-7(6)9-4-5-11-8/h2-3,8-11H,4-5H2,1H3
InChIKeyMHZLWPZLBYGMJM-UHFFFAOYSA-N
MW151.21 g/mol
LogP-0.10
Rot. Bonds

About 8-methyl-1,2,3,4,4a,5-hexahydropyrido[2,3-b]pyrazine

8-methyl-1,2,3,4,4a,5-hexahydropyrido[2,3-b]pyrazine (PubChem CID 86340920) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is 8-methyl-1,2,3,4,4a,5-hexahydropyrido[2,3-b]pyrazine.

Molecular Properties

Compound Name8-methyl-1,2,3,4,4a,5-hexahydropyrido[2,3-b]pyrazine
PubChem CID86340920
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name8-methyl-1,2,3,4,4a,5-hexahydropyrido[2,3-b]pyrazine
SMILESCC1=C2NCCNC2NC=C1
InChIInChI=1S/C8H13N3/c1-6-2-3-10-8-7(6)9-4-5-11-8/h2-3,8-11H,4-5H2,1H3
InChIKeyMHZLWPZLBYGMJM-UHFFFAOYSA-N
XLogP-0.10
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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ethyl 4-methyl-7,7a-dihydro-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
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Frequently Asked Questions

What is the IUPAC name of 8-methyl-1,2,3,4,4a,5-hexahydropyrido[2,3-b]pyrazine?
The IUPAC name of 8-methyl-1,2,3,4,4a,5-hexahydropyrido[2,3-b]pyrazine (CID 86340920) is 8-methyl-1,2,3,4,4a,5-hexahydropyrido[2,3-b]pyrazine.
What is the SMILES notation for 8-methyl-1,2,3,4,4a,5-hexahydropyrido[2,3-b]pyrazine?
The canonical SMILES for 8-methyl-1,2,3,4,4a,5-hexahydropyrido[2,3-b]pyrazine is CC1=C2NCCNC2NC=C1.
What is the InChIKey of 8-methyl-1,2,3,4,4a,5-hexahydropyrido[2,3-b]pyrazine?
The InChIKey is MHZLWPZLBYGMJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3/c1-6-2-3-10-8-7(6)9-4-5-11-8/h2-3,8-11H,4-5H2,1H3.
What are the key properties of 8-methyl-1,2,3,4,4a,5-hexahydropyrido[2,3-b]pyrazine?
8-methyl-1,2,3,4,4a,5-hexahydropyrido[2,3-b]pyrazine has a molecular weight of 151.21 g/mol, XLogP of -0.10, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-1,2,3,4,4a,5-hexahydropyrido[2,3-b]pyrazine is sourced from PubChem (CID 86340920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).