4-methyl-3,5,6-tri(propan-2-yl)pyridazine

C14H24N2 — CID 58164679

IUPAC4-methyl-3,5,6-tri(propan-2-yl)pyridazine
SMILESCc1c(C(C)C)nnc(C(C)C)c1C(C)C
InChIInChI=1S/C14H24N2/c1-8(2)12-11(7)13(9(3)4)15-16-14(12)10(5)6/h8-10H,1-7H3
InChIKeyZXDLYGZKBNNGKF-UHFFFAOYSA-N
MW220.36 g/mol
LogP4.16
Rot. Bonds3

About 4-methyl-3,5,6-tri(propan-2-yl)pyridazine

4-methyl-3,5,6-tri(propan-2-yl)pyridazine (PubChem CID 58164679) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 4-methyl-3,5,6-tri(propan-2-yl)pyridazine.

Molecular Properties

Compound Name4-methyl-3,5,6-tri(propan-2-yl)pyridazine
PubChem CID58164679
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name4-methyl-3,5,6-tri(propan-2-yl)pyridazine
SMILESCc1c(C(C)C)nnc(C(C)C)c1C(C)C
InChIInChI=1S/C14H24N2/c1-8(2)12-11(7)13(9(3)4)15-16-14(12)10(5)6/h8-10H,1-7H3
InChIKeyZXDLYGZKBNNGKF-UHFFFAOYSA-N
XLogP4.16
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3,5,6-tri(propan-2-yl)pyridazine?
The IUPAC name of 4-methyl-3,5,6-tri(propan-2-yl)pyridazine (CID 58164679) is 4-methyl-3,5,6-tri(propan-2-yl)pyridazine.
What is the SMILES notation for 4-methyl-3,5,6-tri(propan-2-yl)pyridazine?
The canonical SMILES for 4-methyl-3,5,6-tri(propan-2-yl)pyridazine is Cc1c(C(C)C)nnc(C(C)C)c1C(C)C.
What is the InChIKey of 4-methyl-3,5,6-tri(propan-2-yl)pyridazine?
The InChIKey is ZXDLYGZKBNNGKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-8(2)12-11(7)13(9(3)4)15-16-14(12)10(5)6/h8-10H,1-7H3.
What are the key properties of 4-methyl-3,5,6-tri(propan-2-yl)pyridazine?
4-methyl-3,5,6-tri(propan-2-yl)pyridazine has a molecular weight of 220.36 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3,5,6-tri(propan-2-yl)pyridazine is sourced from PubChem (CID 58164679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).