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

C8H13N3 — CID 155416233

IUPAC7-methyl-1,2,3,4,4a,8a-hexahydropyrido[2,3-b]pyrazine
SMILESCC1=CC2NCCNC2N=C1
InChIInChI=1S/C8H13N3/c1-6-4-7-8(11-5-6)10-3-2-9-7/h4-5,7-10H,2-3H2,1H3
InChIKeyCRFOCLMWWOOHQV-UHFFFAOYSA-N
MW151.21 g/mol
LogP-0.10
Rot. Bonds

About 7-methyl-1,2,3,4,4a,8a-hexahydropyrido[2,3-b]pyrazine

7-methyl-1,2,3,4,4a,8a-hexahydropyrido[2,3-b]pyrazine (PubChem CID 155416233) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is 7-methyl-1,2,3,4,4a,8a-hexahydropyrido[2,3-b]pyrazine.

Molecular Properties

Compound Name7-methyl-1,2,3,4,4a,8a-hexahydropyrido[2,3-b]pyrazine
PubChem CID155416233
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name7-methyl-1,2,3,4,4a,8a-hexahydropyrido[2,3-b]pyrazine
SMILESCC1=CC2NCCNC2N=C1
InChIInChI=1S/C8H13N3/c1-6-4-7-8(11-5-6)10-3-2-9-7/h4-5,7-10H,2-3H2,1H3
InChIKeyCRFOCLMWWOOHQV-UHFFFAOYSA-N
XLogP-0.10
TPSA36.42 Ų
H-Bond Donors2
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 ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-1,2,3,4,4a,8a-hexahydropyrido[2,3-b]pyrazine?
The IUPAC name of 7-methyl-1,2,3,4,4a,8a-hexahydropyrido[2,3-b]pyrazine (CID 155416233) is 7-methyl-1,2,3,4,4a,8a-hexahydropyrido[2,3-b]pyrazine.
What is the SMILES notation for 7-methyl-1,2,3,4,4a,8a-hexahydropyrido[2,3-b]pyrazine?
The canonical SMILES for 7-methyl-1,2,3,4,4a,8a-hexahydropyrido[2,3-b]pyrazine is CC1=CC2NCCNC2N=C1.
What is the InChIKey of 7-methyl-1,2,3,4,4a,8a-hexahydropyrido[2,3-b]pyrazine?
The InChIKey is CRFOCLMWWOOHQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3/c1-6-4-7-8(11-5-6)10-3-2-9-7/h4-5,7-10H,2-3H2,1H3.
What are the key properties of 7-methyl-1,2,3,4,4a,8a-hexahydropyrido[2,3-b]pyrazine?
7-methyl-1,2,3,4,4a,8a-hexahydropyrido[2,3-b]pyrazine has a molecular weight of 151.21 g/mol, XLogP of -0.10, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1,2,3,4,4a,8a-hexahydropyrido[2,3-b]pyrazine is sourced from PubChem (CID 155416233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).