ethane;1-methyl-4-propan-2-ylpyridazino[4,5-d]pyridazine

C12H18N4 — CID 144749665

IUPACethane;1-methyl-4-propan-2-ylpyridazino[4,5-d]pyridazine
SMILESCC.Cc1nnc(C(C)C)c2cnncc12
InChIInChI=1S/C10H12N4.C2H6/c1-6(2)10-9-5-12-11-4-8(9)7(3)13-14-10;1-2/h4-6H,1-3H3;1-2H3
InChIKeyNURMZZXECZPTCR-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.88
Rot. Bonds1

About ethane;1-methyl-4-propan-2-ylpyridazino[4,5-d]pyridazine

ethane;1-methyl-4-propan-2-ylpyridazino[4,5-d]pyridazine (PubChem CID 144749665) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is ethane;1-methyl-4-propan-2-ylpyridazino[4,5-d]pyridazine.

Molecular Properties

Compound Nameethane;1-methyl-4-propan-2-ylpyridazino[4,5-d]pyridazine
PubChem CID144749665
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC Nameethane;1-methyl-4-propan-2-ylpyridazino[4,5-d]pyridazine
SMILESCC.Cc1nnc(C(C)C)c2cnncc12
InChIInChI=1S/C10H12N4.C2H6/c1-6(2)10-9-5-12-11-4-8(9)7(3)13-14-10;1-2/h4-6H,1-3H3;1-2H3
InChIKeyNURMZZXECZPTCR-UHFFFAOYSA-N
XLogP2.88
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-4-propan-2-ylpyridazino[4,5-d]pyridazine?
The IUPAC name of ethane;1-methyl-4-propan-2-ylpyridazino[4,5-d]pyridazine (CID 144749665) is ethane;1-methyl-4-propan-2-ylpyridazino[4,5-d]pyridazine.
What is the SMILES notation for ethane;1-methyl-4-propan-2-ylpyridazino[4,5-d]pyridazine?
The canonical SMILES for ethane;1-methyl-4-propan-2-ylpyridazino[4,5-d]pyridazine is CC.Cc1nnc(C(C)C)c2cnncc12.
What is the InChIKey of ethane;1-methyl-4-propan-2-ylpyridazino[4,5-d]pyridazine?
The InChIKey is NURMZZXECZPTCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4.C2H6/c1-6(2)10-9-5-12-11-4-8(9)7(3)13-14-10;1-2/h4-6H,1-3H3;1-2H3.
What are the key properties of ethane;1-methyl-4-propan-2-ylpyridazino[4,5-d]pyridazine?
ethane;1-methyl-4-propan-2-ylpyridazino[4,5-d]pyridazine has a molecular weight of 218.30 g/mol, XLogP of 2.88, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-4-propan-2-ylpyridazino[4,5-d]pyridazine is sourced from PubChem (CID 144749665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).