4-propan-2-ylpyrido[1,2-b]pyridazine

C11H12N2 — CID 131990524

IUPAC4-propan-2-ylpyrido[1,2-b]pyridazine
SMILESCC(C)C1=C2C=CC=CN2N=C=C1
InChIInChI=1S/C11H12N2/c1-9(2)10-6-7-12-13-8-4-3-5-11(10)13/h3-6,8-9H,1-2H3
InChIKeyAEHFYQRYHQJGDF-UHFFFAOYSA-N
MW172.23 g/mol
LogP2.44
Rot. Bonds1

About 4-propan-2-ylpyrido[1,2-b]pyridazine

4-propan-2-ylpyrido[1,2-b]pyridazine (PubChem CID 131990524) has the molecular formula C11H12N2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 4-propan-2-ylpyrido[1,2-b]pyridazine.

Molecular Properties

Compound Name4-propan-2-ylpyrido[1,2-b]pyridazine
PubChem CID131990524
Molecular FormulaC11H12N2
Molecular Weight172.23 g/mol
Exact Mass172.10
IUPAC Name4-propan-2-ylpyrido[1,2-b]pyridazine
SMILESCC(C)C1=C2C=CC=CN2N=C=C1
InChIInChI=1S/C11H12N2/c1-9(2)10-6-7-12-13-8-4-3-5-11(10)13/h3-6,8-9H,1-2H3
InChIKeyAEHFYQRYHQJGDF-UHFFFAOYSA-N
XLogP2.44
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-Methyl-6-methylidenepyrido[1,2-b]pyridazine
CID 59284052
7-Methyl-6-methylidenepyrido[1,2-b]pyridazine
CID 59284144
Ethane;5-methyl-6-methylidenepyrido[1,2-b]pyridazine
CID 91443773
3-methyl-3H-pyrido[1,2-b]pyridazine
CID 123373938
2-chloro-5-methyl-6H-pyrido[1,2-b]pyridazine
CID 123565472
2-methyl-3H-pyrido[1,2-b]pyridazine
CID 143334482
3-Ethyl-3-methylpyrido[1,2-b]pyridazine
CID 153553436
4-methyl-3H-pyrido[1,2-b]pyridazine
CID 155111801
(Z)-[1-(methylideneamino)-4-propan-2-yl-2-pyridinylidene]methanamine
CID 156566262
N-[(2Z)-2-ethylidene-5-propan-2-yl-1-pyridinyl]methanimine
CID 163250845
1,2-Dimethyl-6,7-dihydrocinnoline
CID 167025622
N-[(2Z)-5-methyl-2-propylidene-1-pyridinyl]methanimine
CID 168258070

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-ylpyrido[1,2-b]pyridazine?
The IUPAC name of 4-propan-2-ylpyrido[1,2-b]pyridazine (CID 131990524) is 4-propan-2-ylpyrido[1,2-b]pyridazine.
What is the SMILES notation for 4-propan-2-ylpyrido[1,2-b]pyridazine?
The canonical SMILES for 4-propan-2-ylpyrido[1,2-b]pyridazine is CC(C)C1=C2C=CC=CN2N=C=C1.
What is the InChIKey of 4-propan-2-ylpyrido[1,2-b]pyridazine?
The InChIKey is AEHFYQRYHQJGDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2/c1-9(2)10-6-7-12-13-8-4-3-5-11(10)13/h3-6,8-9H,1-2H3.
What are the key properties of 4-propan-2-ylpyrido[1,2-b]pyridazine?
4-propan-2-ylpyrido[1,2-b]pyridazine has a molecular weight of 172.23 g/mol, XLogP of 2.44, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-ylpyrido[1,2-b]pyridazine is sourced from PubChem (CID 131990524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).