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

C13H17N3 — CID 59224821

IUPAC2,5-di(propan-2-yl)pyrido[2,3-d]pyridazine
SMILESCC(C)c1ccc2c(C(C)C)nncc2n1
InChIInChI=1S/C13H17N3/c1-8(2)11-6-5-10-12(15-11)7-14-16-13(10)9(3)4/h5-9H,1-4H3
InChIKeyNYUXYXXPNMEUMH-UHFFFAOYSA-N
MW215.30 g/mol
LogP3.27
Rot. Bonds2

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

2,5-di(propan-2-yl)pyrido[2,3-d]pyridazine (PubChem CID 59224821) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 2,5-di(propan-2-yl)pyrido[2,3-d]pyridazine.

Molecular Properties

Compound Name2,5-di(propan-2-yl)pyrido[2,3-d]pyridazine
PubChem CID59224821
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name2,5-di(propan-2-yl)pyrido[2,3-d]pyridazine
SMILESCC(C)c1ccc2c(C(C)C)nncc2n1
InChIInChI=1S/C13H17N3/c1-8(2)11-6-5-10-12(15-11)7-14-16-13(10)9(3)4/h5-9H,1-4H3
InChIKeyNYUXYXXPNMEUMH-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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Frequently Asked Questions

What is the IUPAC name of 2,5-di(propan-2-yl)pyrido[2,3-d]pyridazine?
The IUPAC name of 2,5-di(propan-2-yl)pyrido[2,3-d]pyridazine (CID 59224821) is 2,5-di(propan-2-yl)pyrido[2,3-d]pyridazine.
What is the SMILES notation for 2,5-di(propan-2-yl)pyrido[2,3-d]pyridazine?
The canonical SMILES for 2,5-di(propan-2-yl)pyrido[2,3-d]pyridazine is CC(C)c1ccc2c(C(C)C)nncc2n1.
What is the InChIKey of 2,5-di(propan-2-yl)pyrido[2,3-d]pyridazine?
The InChIKey is NYUXYXXPNMEUMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-8(2)11-6-5-10-12(15-11)7-14-16-13(10)9(3)4/h5-9H,1-4H3.
What are the key properties of 2,5-di(propan-2-yl)pyrido[2,3-d]pyridazine?
2,5-di(propan-2-yl)pyrido[2,3-d]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 2,5-di(propan-2-yl)pyrido[2,3-d]pyridazine is sourced from PubChem (CID 59224821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).