1,4,5,8-tetramethylpyridazino[4,5-d]pyridazine;trihydrate

C10H18N4O3 — CID 139060403

IUPAC1,4,5,8-tetramethylpyridazino[4,5-d]pyridazine;trihydrate
SMILESCc1nnc(C)c2c(C)nnc(C)c12.O.O.O
InChIInChI=1S/C10H12N4.3H2O/c1-5-9-6(2)13-14-8(4)10(9)7(3)12-11-5;;;/h1-4H3;3*1H2
InChIKeyXPLPYUSMIOGBHQ-UHFFFAOYSA-N
MW242.28 g/mol
LogP-0.82
Rot. Bonds

About 1,4,5,8-tetramethylpyridazino[4,5-d]pyridazine;trihydrate

1,4,5,8-tetramethylpyridazino[4,5-d]pyridazine;trihydrate (PubChem CID 139060403) has the molecular formula C10H18N4O3 and a molecular weight of 242.28 g/mol. Its IUPAC name is 1,4,5,8-tetramethylpyridazino[4,5-d]pyridazine;trihydrate.

Molecular Properties

Compound Name1,4,5,8-tetramethylpyridazino[4,5-d]pyridazine;trihydrate
PubChem CID139060403
Molecular FormulaC10H18N4O3
Molecular Weight242.28 g/mol
Exact Mass242.14
IUPAC Name1,4,5,8-tetramethylpyridazino[4,5-d]pyridazine;trihydrate
SMILESCc1nnc(C)c2c(C)nnc(C)c12.O.O.O
InChIInChI=1S/C10H12N4.3H2O/c1-5-9-6(2)13-14-8(4)10(9)7(3)12-11-5;;;/h1-4H3;3*1H2
InChIKeyXPLPYUSMIOGBHQ-UHFFFAOYSA-N
XLogP-0.82
TPSA146.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 5-0.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,2,3,6,7,8-Hexahydrocinnolino[5,4,3-cde]cinnoline
CID 255562
1,2,3,6,7,8-Hexahydrocinnolino[5,4,3-cde]cinnoline tetrahydrate
CID 139060405
1,4-Dimethylpyridazino[4,5-d]pyridazine
CID 12486786
1,4,5,8-Tetramethylpyridazino[4,5-d]pyridazine
CID 139060404
Ethane;1-methyl-4-propan-2-ylpyridazino[4,5-d]pyridazine
CID 144749665
4-Propan-2-ylpyridazino[4,5-d]pyridazine
CID 156223476
5,8-Dimethylpyridazino[4,5-d]pyridazine-1,4-diamine
CID 12212820
6,13-Dimethyl-2,3,9,10-tetrazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene
CID 25243413

Frequently Asked Questions

What is the IUPAC name of 1,4,5,8-tetramethylpyridazino[4,5-d]pyridazine;trihydrate?
The IUPAC name of 1,4,5,8-tetramethylpyridazino[4,5-d]pyridazine;trihydrate (CID 139060403) is 1,4,5,8-tetramethylpyridazino[4,5-d]pyridazine;trihydrate.
What is the SMILES notation for 1,4,5,8-tetramethylpyridazino[4,5-d]pyridazine;trihydrate?
The canonical SMILES for 1,4,5,8-tetramethylpyridazino[4,5-d]pyridazine;trihydrate is Cc1nnc(C)c2c(C)nnc(C)c12.O.O.O.
What is the InChIKey of 1,4,5,8-tetramethylpyridazino[4,5-d]pyridazine;trihydrate?
The InChIKey is XPLPYUSMIOGBHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4.3H2O/c1-5-9-6(2)13-14-8(4)10(9)7(3)12-11-5;;;/h1-4H3;3*1H2.
What are the key properties of 1,4,5,8-tetramethylpyridazino[4,5-d]pyridazine;trihydrate?
1,4,5,8-tetramethylpyridazino[4,5-d]pyridazine;trihydrate has a molecular weight of 242.28 g/mol, XLogP of -0.82, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,5,8-tetramethylpyridazino[4,5-d]pyridazine;trihydrate is sourced from PubChem (CID 139060403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).