2-ethyl-3,4,6-trimethyl-1H-pyridazine

C9H16N2 — CID 171384060

IUPAC2-ethyl-3,4,6-trimethyl-1H-pyridazine
SMILESCCN1NC(C)=CC(C)=C1C
InChIInChI=1S/C9H16N2/c1-5-11-9(4)7(2)6-8(3)10-11/h6,10H,5H2,1-4H3
InChIKeyVBHYEBMPHKAXNX-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.02
Rot. Bonds1

About 2-ethyl-3,4,6-trimethyl-1H-pyridazine

2-ethyl-3,4,6-trimethyl-1H-pyridazine (PubChem CID 171384060) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 2-ethyl-3,4,6-trimethyl-1H-pyridazine.

Molecular Properties

Compound Name2-ethyl-3,4,6-trimethyl-1H-pyridazine
PubChem CID171384060
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name2-ethyl-3,4,6-trimethyl-1H-pyridazine
SMILESCCN1NC(C)=CC(C)=C1C
InChIInChI=1S/C9H16N2/c1-5-11-9(4)7(2)6-8(3)10-11/h6,10H,5H2,1-4H3
InChIKeyVBHYEBMPHKAXNX-UHFFFAOYSA-N
XLogP2.02
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Pyridine, 1-amino-4,6-dimethyl-
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2,3,4,5,6-pentamethyl-1H-pyridazine
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2-methyl-5,6-dipropyl-1H-pyridazine
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1-methyl-1-[(Z)-4-methylidenehex-2-en-2-yl]hydrazine
CID 89351732
6-[(1Z)-buta-1,3-dienyl]-5-methyl-2-propan-2-yl-3,4-dihydro-1H-pyridazine
CID 89468900
3-[(1Z)-buta-1,3-dienyl]-4-methyl-2-propan-2-yl-5,6-dihydro-1H-pyridazine
CID 89468902
3-[(1Z)-buta-1,3-dienyl]-2,4-dimethyl-5,6-dihydro-1H-pyridazine
CID 89518302
6-[(1Z)-buta-1,3-dienyl]-2,5-dimethyl-3,4-dihydro-1H-pyridazine
CID 89518303

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3,4,6-trimethyl-1H-pyridazine?
The IUPAC name of 2-ethyl-3,4,6-trimethyl-1H-pyridazine (CID 171384060) is 2-ethyl-3,4,6-trimethyl-1H-pyridazine.
What is the SMILES notation for 2-ethyl-3,4,6-trimethyl-1H-pyridazine?
The canonical SMILES for 2-ethyl-3,4,6-trimethyl-1H-pyridazine is CCN1NC(C)=CC(C)=C1C.
What is the InChIKey of 2-ethyl-3,4,6-trimethyl-1H-pyridazine?
The InChIKey is VBHYEBMPHKAXNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-5-11-9(4)7(2)6-8(3)10-11/h6,10H,5H2,1-4H3.
What are the key properties of 2-ethyl-3,4,6-trimethyl-1H-pyridazine?
2-ethyl-3,4,6-trimethyl-1H-pyridazine has a molecular weight of 152.24 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3,4,6-trimethyl-1H-pyridazine is sourced from PubChem (CID 171384060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).