2-(1-methylpyrazol-4-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine

C12H20N4 — CID 79928912

IUPAC2-(1-methylpyrazol-4-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
SMILESCn1cc(N2CCN3CCCCC3C2)cn1
InChIInChI=1S/C12H20N4/c1-14-9-12(8-13-14)16-7-6-15-5-3-2-4-11(15)10-16/h8-9,11H,2-7,10H2,1H3
InChIKeyCBTDPTQYHLXJRH-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.09
Rot. Bonds1

About 2-(1-methylpyrazol-4-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine

2-(1-methylpyrazol-4-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine (PubChem CID 79928912) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-(1-methylpyrazol-4-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine.

Molecular Properties

Compound Name2-(1-methylpyrazol-4-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
PubChem CID79928912
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name2-(1-methylpyrazol-4-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
SMILESCn1cc(N2CCN3CCCCC3C2)cn1
InChIInChI=1S/C12H20N4/c1-14-9-12(8-13-14)16-7-6-15-5-3-2-4-11(15)10-16/h8-9,11H,2-7,10H2,1H3
InChIKeyCBTDPTQYHLXJRH-UHFFFAOYSA-N
XLogP1.09
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-4-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
The IUPAC name of 2-(1-methylpyrazol-4-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine (CID 79928912) is 2-(1-methylpyrazol-4-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine.
What is the SMILES notation for 2-(1-methylpyrazol-4-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
The canonical SMILES for 2-(1-methylpyrazol-4-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine is Cn1cc(N2CCN3CCCCC3C2)cn1.
What is the InChIKey of 2-(1-methylpyrazol-4-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
The InChIKey is CBTDPTQYHLXJRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-14-9-12(8-13-14)16-7-6-15-5-3-2-4-11(15)10-16/h8-9,11H,2-7,10H2,1H3.
What are the key properties of 2-(1-methylpyrazol-4-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
2-(1-methylpyrazol-4-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine has a molecular weight of 220.32 g/mol, XLogP of 1.09, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-4-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine is sourced from PubChem (CID 79928912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).