[6-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyridazin-3-yl]methanol

C14H22N4O — CID 79935691

IUPAC[6-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyridazin-3-yl]methanol
SMILESCC1CN2CCCCC2CN1c1ccc(CO)nn1
InChIInChI=1S/C14H22N4O/c1-11-8-17-7-3-2-4-13(17)9-18(11)14-6-5-12(10-19)15-16-14/h5-6,11,13,19H,2-4,7-10H2,1H3
InChIKeyWURFQPOREYIVDI-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.03
Rot. Bonds2

About [6-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyridazin-3-yl]methanol

[6-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyridazin-3-yl]methanol (PubChem CID 79935691) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is [6-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyridazin-3-yl]methanol.

Molecular Properties

Compound Name[6-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyridazin-3-yl]methanol
PubChem CID79935691
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name[6-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyridazin-3-yl]methanol
SMILESCC1CN2CCCCC2CN1c1ccc(CO)nn1
InChIInChI=1S/C14H22N4O/c1-11-8-17-7-3-2-4-13(17)9-18(11)14-6-5-12(10-19)15-16-14/h5-6,11,13,19H,2-4,7-10H2,1H3
InChIKeyWURFQPOREYIVDI-UHFFFAOYSA-N
XLogP1.03
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[6-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyridazin-3-yl]methanamine
CID 79925494
2-(6-chloropyridazin-3-yl)-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79925110
N-[[6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pyridazin-3-yl]methyl]propan-2-amine
CID 79934416
2-[6-(chloromethyl)-2-pyridinyl]-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79935118
[1-[6-(hydroxymethyl)pyridazin-3-yl]piperidin-2-yl]methanol
CID 61407734
N-methyl-1-[6-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-pyridinyl]methanamine
CID 79925045
2-[6-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-3-pyridinyl]ethanamine
CID 80634545
[5-bromo-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-3-pyridinyl]methanol
CID 79935278
2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyridin-4-amine
CID 79930729
6-methyl-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyridine-3-carbothioamide
CID 79921499
[2-methyl-4-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)phenyl]methanol
CID 79943471
[5-methyl-6-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-3-pyridinyl]methanol
CID 80628200

Frequently Asked Questions

What is the IUPAC name of [6-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyridazin-3-yl]methanol?
The IUPAC name of [6-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyridazin-3-yl]methanol (CID 79935691) is [6-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyridazin-3-yl]methanol.
What is the SMILES notation for [6-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyridazin-3-yl]methanol?
The canonical SMILES for [6-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyridazin-3-yl]methanol is CC1CN2CCCCC2CN1c1ccc(CO)nn1.
What is the InChIKey of [6-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyridazin-3-yl]methanol?
The InChIKey is WURFQPOREYIVDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-11-8-17-7-3-2-4-13(17)9-18(11)14-6-5-12(10-19)15-16-14/h5-6,11,13,19H,2-4,7-10H2,1H3.
What are the key properties of [6-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyridazin-3-yl]methanol?
[6-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyridazin-3-yl]methanol has a molecular weight of 262.36 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyridazin-3-yl]methanol is sourced from PubChem (CID 79935691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).