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

C12H17ClN4 — CID 114478326

IUPAC2-(6-chloropyridazin-4-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
SMILESClc1cc(N2CCN3CCCCC3C2)cnn1
InChIInChI=1S/C12H17ClN4/c13-12-7-11(8-14-15-12)17-6-5-16-4-2-1-3-10(16)9-17/h7-8,10H,1-6,9H2
InChIKeyUDNXRPXZJFEYEE-UHFFFAOYSA-N
MW252.75 g/mol
LogP1.80
Rot. Bonds1

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

2-(6-chloropyridazin-4-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine (PubChem CID 114478326) has the molecular formula C12H17ClN4 and a molecular weight of 252.75 g/mol. Its IUPAC name is 2-(6-chloropyridazin-4-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine.

Molecular Properties

Compound Name2-(6-chloropyridazin-4-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
PubChem CID114478326
Molecular FormulaC12H17ClN4
Molecular Weight252.75 g/mol
Exact Mass252.11
IUPAC Name2-(6-chloropyridazin-4-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
SMILESClc1cc(N2CCN3CCCCC3C2)cnn1
InChIInChI=1S/C12H17ClN4/c13-12-7-11(8-14-15-12)17-6-5-16-4-2-1-3-10(16)9-17/h7-8,10H,1-6,9H2
InChIKeyUDNXRPXZJFEYEE-UHFFFAOYSA-N
XLogP1.80
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.75
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(6-chloropyridazin-4-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine with MolForge

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Related Compounds

3-chloro-5-(3-piperidin-1-ylpyrrolidin-1-yl)pyridazine
CID 114478285
2-(3,4-dichlorophenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79929688
4-[(9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-6-chloropyrimidin-2-amine
CID 124784815
2-(1-methylpyrazol-4-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79928912
3-chloro-5-(3-methylpyrrolidin-1-yl)pyridazine
CID 114478162
2-(5-bromo-3-pyridinyl)-3,4,5,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a][1,4]diazepine
CID 114223219
2-(4-propan-2-ylphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79929962
2-(4-piperidin-1-ylphenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79922742
5-(3-piperidin-1-ylpyrrolidin-1-yl)pyridin-3-amine
CID 113424017
5-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyridine-2-carboxylic acid
CID 115491013
(9aR)-2-[5-bromo-6-[(1S)-1-methoxyethyl]-3-pyridinyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 162763067
(8aR)-2-[6-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]pyrimidin-4-yl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 129429947

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloropyridazin-4-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
The IUPAC name of 2-(6-chloropyridazin-4-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine (CID 114478326) is 2-(6-chloropyridazin-4-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine.
What is the SMILES notation for 2-(6-chloropyridazin-4-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
The canonical SMILES for 2-(6-chloropyridazin-4-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine is Clc1cc(N2CCN3CCCCC3C2)cnn1.
What is the InChIKey of 2-(6-chloropyridazin-4-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
The InChIKey is UDNXRPXZJFEYEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN4/c13-12-7-11(8-14-15-12)17-6-5-16-4-2-1-3-10(16)9-17/h7-8,10H,1-6,9H2.
What are the key properties of 2-(6-chloropyridazin-4-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
2-(6-chloropyridazin-4-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine has a molecular weight of 252.75 g/mol, XLogP of 1.80, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloropyridazin-4-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine is sourced from PubChem (CID 114478326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).