ethane;3,4,5-trimethyl-6-propan-2-ylpyridazine

C12H22N2 — CID 144749618

IUPACethane;3,4,5-trimethyl-6-propan-2-ylpyridazine
SMILESCC.Cc1nnc(C(C)C)c(C)c1C
InChIInChI=1S/C10H16N2.C2H6/c1-6(2)10-8(4)7(3)9(5)11-12-10;1-2/h6H,1-5H3;1-2H3
InChIKeyCYAIHFWHRHRBQX-UHFFFAOYSA-N
MW194.32 g/mol
LogP3.55
Rot. Bonds1

About ethane;3,4,5-trimethyl-6-propan-2-ylpyridazine

ethane;3,4,5-trimethyl-6-propan-2-ylpyridazine (PubChem CID 144749618) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is ethane;3,4,5-trimethyl-6-propan-2-ylpyridazine.

Molecular Properties

Compound Nameethane;3,4,5-trimethyl-6-propan-2-ylpyridazine
PubChem CID144749618
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Nameethane;3,4,5-trimethyl-6-propan-2-ylpyridazine
SMILESCC.Cc1nnc(C(C)C)c(C)c1C
InChIInChI=1S/C10H16N2.C2H6/c1-6(2)10-8(4)7(3)9(5)11-12-10;1-2/h6H,1-5H3;1-2H3
InChIKeyCYAIHFWHRHRBQX-UHFFFAOYSA-N
XLogP3.55
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze ethane;3,4,5-trimethyl-6-propan-2-ylpyridazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Pyridazine, 3,4,6-trimethyl-
CID 12440100
Tetramethylpyridazine
CID 12750033
4,5-Diazaindan, 6,7-dimethyl-
CID 58890735
Pyridazine, 4-ethyl-3,6-dimethyl-
CID 143818473
1,4-Dimethyl-5,6,7,8,9,10-hexahydrocycloocta[d]pyridazine
CID 90182986
1,2-Diazabenzocycloheptane, 3-methyl-
CID 101878952
Cinnoline, 5,6,7,8-tetrahydro-3,4-dimethyl-
CID 165339766
3,4-Pentamethylene-5,6,7,8-tetrahydrocinnoline
CID 165339889
4-Methyl-5,6,7,8,9,10-hexahydrocycloocta[d]pyridazine
CID 139297356
4-(2-Fluoropropan-2-yl)-3,6-dimethylpyridazine
CID 117865260
6-Tert-butyl-4-(2-fluoropropan-2-yl)-3-prop-1-ynylpyridazine
CID 121391281
6-Tert-butyl-4-(2-fluoropropan-2-yl)-3-methylpyridazine
CID 121391283

Frequently Asked Questions

What is the IUPAC name of ethane;3,4,5-trimethyl-6-propan-2-ylpyridazine?
The IUPAC name of ethane;3,4,5-trimethyl-6-propan-2-ylpyridazine (CID 144749618) is ethane;3,4,5-trimethyl-6-propan-2-ylpyridazine.
What is the SMILES notation for ethane;3,4,5-trimethyl-6-propan-2-ylpyridazine?
The canonical SMILES for ethane;3,4,5-trimethyl-6-propan-2-ylpyridazine is CC.Cc1nnc(C(C)C)c(C)c1C.
What is the InChIKey of ethane;3,4,5-trimethyl-6-propan-2-ylpyridazine?
The InChIKey is CYAIHFWHRHRBQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2.C2H6/c1-6(2)10-8(4)7(3)9(5)11-12-10;1-2/h6H,1-5H3;1-2H3.
What are the key properties of ethane;3,4,5-trimethyl-6-propan-2-ylpyridazine?
ethane;3,4,5-trimethyl-6-propan-2-ylpyridazine has a molecular weight of 194.32 g/mol, XLogP of 3.55, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3,4,5-trimethyl-6-propan-2-ylpyridazine is sourced from PubChem (CID 144749618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).