4-propan-2-ylpyridazine

C7H10N2 — CID 22951092

IUPAC4-propan-2-ylpyridazine
SMILESCC(C)c1ccnnc1
InChIInChI=1S/C7H10N2/c1-6(2)7-3-4-8-9-5-7/h3-6H,1-2H3
InChIKeyNSEAYDGWTIYXIJ-UHFFFAOYSA-N
MW122.17 g/mol
LogP1.60
Rot. Bonds1

About 4-propan-2-ylpyridazine

4-propan-2-ylpyridazine (PubChem CID 22951092) has the molecular formula C7H10N2 and a molecular weight of 122.17 g/mol. Its IUPAC name is 4-propan-2-ylpyridazine.

Molecular Properties

Compound Name4-propan-2-ylpyridazine
PubChem CID22951092
Molecular FormulaC7H10N2
Molecular Weight122.17 g/mol
Exact Mass122.08
IUPAC Name4-propan-2-ylpyridazine
SMILESCC(C)c1ccnnc1
InChIInChI=1S/C7H10N2/c1-6(2)7-3-4-8-9-5-7/h3-6H,1-2H3
InChIKeyNSEAYDGWTIYXIJ-UHFFFAOYSA-N
XLogP1.60
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-ylpyridazine?
The IUPAC name of 4-propan-2-ylpyridazine (CID 22951092) is 4-propan-2-ylpyridazine.
What is the SMILES notation for 4-propan-2-ylpyridazine?
The canonical SMILES for 4-propan-2-ylpyridazine is CC(C)c1ccnnc1.
What is the InChIKey of 4-propan-2-ylpyridazine?
The InChIKey is NSEAYDGWTIYXIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2/c1-6(2)7-3-4-8-9-5-7/h3-6H,1-2H3.
What are the key properties of 4-propan-2-ylpyridazine?
4-propan-2-ylpyridazine has a molecular weight of 122.17 g/mol, XLogP of 1.60, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-ylpyridazine is sourced from PubChem (CID 22951092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).