4,5-di(propan-2-yl)pyrido[2,3-c]pyridazine

C13H17N3 — CID 170669159

IUPAC4,5-di(propan-2-yl)pyrido[2,3-c]pyridazine
SMILESCC(C)c1ccnc2nncc(C(C)C)c12
InChIInChI=1S/C13H17N3/c1-8(2)10-5-6-14-13-12(10)11(9(3)4)7-15-16-13/h5-9H,1-4H3
InChIKeyAKSRJVKJXLHBLT-UHFFFAOYSA-N
MW215.30 g/mol
LogP3.27
Rot. Bonds2

About 4,5-di(propan-2-yl)pyrido[2,3-c]pyridazine

4,5-di(propan-2-yl)pyrido[2,3-c]pyridazine (PubChem CID 170669159) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 4,5-di(propan-2-yl)pyrido[2,3-c]pyridazine.

Molecular Properties

Compound Name4,5-di(propan-2-yl)pyrido[2,3-c]pyridazine
PubChem CID170669159
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name4,5-di(propan-2-yl)pyrido[2,3-c]pyridazine
SMILESCC(C)c1ccnc2nncc(C(C)C)c12
InChIInChI=1S/C13H17N3/c1-8(2)10-5-6-14-13-12(10)11(9(3)4)7-15-16-13/h5-9H,1-4H3
InChIKeyAKSRJVKJXLHBLT-UHFFFAOYSA-N
XLogP3.27
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(6-fluoropyridin-3-yl)-2-(4-(4-methyl-4H-1,2,4-triazol-3-yl)piperidin-1-yl)pyridine
CID 91618245
1,8-Naphthyridine
CID 136069
Pyrido(2,3-d)pyrimidine, 2,4-diamino-6-sec-butyl-5-methyl-
CID 134640
Pyrazolo[1,5-a]pyrimidine, 3-phenyl-6-(4-pyridinyl)-
CID 5329460
4-[3-(Cyclopent-1-en-1-yl)pyrazolo[1,5-a]pyrimidin-6-yl]pyridine
CID 5329473
4-[3-(Cyclohex-1-en-1-yl)pyrazolo[1,5-a]pyrimidin-6-yl]pyridine
CID 5329474
6-Methyl-3-(4-pyridinyl)[1,2,4]triazolo[3,4-a]phthalazine
CID 1266914
1,8-Naphthyridine, 2-methyl-
CID 74073
Mls002693968
CID 253289
2-[4-(4-Benzyl-5-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine
CID 10359487
2-[4-[5-Methyl-4-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine
CID 10383074
2-[4-(4-Benzyl-5-butyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine
CID 11740204

Frequently Asked Questions

What is the IUPAC name of 4,5-di(propan-2-yl)pyrido[2,3-c]pyridazine?
The IUPAC name of 4,5-di(propan-2-yl)pyrido[2,3-c]pyridazine (CID 170669159) is 4,5-di(propan-2-yl)pyrido[2,3-c]pyridazine.
What is the SMILES notation for 4,5-di(propan-2-yl)pyrido[2,3-c]pyridazine?
The canonical SMILES for 4,5-di(propan-2-yl)pyrido[2,3-c]pyridazine is CC(C)c1ccnc2nncc(C(C)C)c12.
What is the InChIKey of 4,5-di(propan-2-yl)pyrido[2,3-c]pyridazine?
The InChIKey is AKSRJVKJXLHBLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-8(2)10-5-6-14-13-12(10)11(9(3)4)7-15-16-13/h5-9H,1-4H3.
What are the key properties of 4,5-di(propan-2-yl)pyrido[2,3-c]pyridazine?
4,5-di(propan-2-yl)pyrido[2,3-c]pyridazine has a molecular weight of 215.30 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-di(propan-2-yl)pyrido[2,3-c]pyridazine is sourced from PubChem (CID 170669159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).