ethane;6-methyl-3,5,7,8-tetrahydropyrazino[1,2-b]pyridazine

C10H19N3 — CID 144720852

IUPACethane;6-methyl-3,5,7,8-tetrahydropyrazino[1,2-b]pyridazine
SMILESCC.CN1CCN2N=CCC=C2C1
InChIInChI=1S/C8H13N3.C2H6/c1-10-5-6-11-8(7-10)3-2-4-9-11;1-2/h3-4H,2,5-7H2,1H3;1-2H3
InChIKeyDPPSRIRYSNADHQ-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.53
Rot. Bonds

About ethane;6-methyl-3,5,7,8-tetrahydropyrazino[1,2-b]pyridazine

ethane;6-methyl-3,5,7,8-tetrahydropyrazino[1,2-b]pyridazine (PubChem CID 144720852) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is ethane;6-methyl-3,5,7,8-tetrahydropyrazino[1,2-b]pyridazine.

Molecular Properties

Compound Nameethane;6-methyl-3,5,7,8-tetrahydropyrazino[1,2-b]pyridazine
PubChem CID144720852
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Nameethane;6-methyl-3,5,7,8-tetrahydropyrazino[1,2-b]pyridazine
SMILESCC.CN1CCN2N=CCC=C2C1
InChIInChI=1S/C8H13N3.C2H6/c1-10-5-6-11-8(7-10)3-2-4-9-11;1-2/h3-4H,2,5-7H2,1H3;1-2H3
InChIKeyDPPSRIRYSNADHQ-UHFFFAOYSA-N
XLogP1.53
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-Dihydropyridin-6-ylmethyl)-4-methylpiperazine
CID 122519367
ethane;1-ethyl-4-(3H-pyrrol-5-ylmethyl)piperazine
CID 166462638
6-Methyl-3,5,7,8-tetrahydropyrazino[1,2-b]pyridazine
CID 144720853
1-ethyl-4-(3H-pyrrol-5-ylmethyl)piperazine
CID 166462639

Frequently Asked Questions

What is the IUPAC name of ethane;6-methyl-3,5,7,8-tetrahydropyrazino[1,2-b]pyridazine?
The IUPAC name of ethane;6-methyl-3,5,7,8-tetrahydropyrazino[1,2-b]pyridazine (CID 144720852) is ethane;6-methyl-3,5,7,8-tetrahydropyrazino[1,2-b]pyridazine.
What is the SMILES notation for ethane;6-methyl-3,5,7,8-tetrahydropyrazino[1,2-b]pyridazine?
The canonical SMILES for ethane;6-methyl-3,5,7,8-tetrahydropyrazino[1,2-b]pyridazine is CC.CN1CCN2N=CCC=C2C1.
What is the InChIKey of ethane;6-methyl-3,5,7,8-tetrahydropyrazino[1,2-b]pyridazine?
The InChIKey is DPPSRIRYSNADHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3.C2H6/c1-10-5-6-11-8(7-10)3-2-4-9-11;1-2/h3-4H,2,5-7H2,1H3;1-2H3.
What are the key properties of ethane;6-methyl-3,5,7,8-tetrahydropyrazino[1,2-b]pyridazine?
ethane;6-methyl-3,5,7,8-tetrahydropyrazino[1,2-b]pyridazine has a molecular weight of 181.28 g/mol, XLogP of 1.53, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-methyl-3,5,7,8-tetrahydropyrazino[1,2-b]pyridazine is sourced from PubChem (CID 144720852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).