3-methoxy-6-[(1-propan-2-ylpyrrolidin-2-yl)methyl]pyridazin-4-amine

C13H22N4O — CID 117106079

IUPAC3-methoxy-6-[(1-propan-2-ylpyrrolidin-2-yl)methyl]pyridazin-4-amine
SMILESCOc1nnc(CC2CCCN2C(C)C)cc1N
InChIInChI=1S/C13H22N4O/c1-9(2)17-6-4-5-11(17)7-10-8-12(14)13(18-3)16-15-10/h8-9,11H,4-7H2,1-3H3,(H2,14,15)
InChIKeyPOKHYEIRDSIMFB-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.48
Rot. Bonds4

About 3-methoxy-6-[(1-propan-2-ylpyrrolidin-2-yl)methyl]pyridazin-4-amine

3-methoxy-6-[(1-propan-2-ylpyrrolidin-2-yl)methyl]pyridazin-4-amine (PubChem CID 117106079) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 3-methoxy-6-[(1-propan-2-ylpyrrolidin-2-yl)methyl]pyridazin-4-amine.

Molecular Properties

Compound Name3-methoxy-6-[(1-propan-2-ylpyrrolidin-2-yl)methyl]pyridazin-4-amine
PubChem CID117106079
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name3-methoxy-6-[(1-propan-2-ylpyrrolidin-2-yl)methyl]pyridazin-4-amine
SMILESCOc1nnc(CC2CCCN2C(C)C)cc1N
InChIInChI=1S/C13H22N4O/c1-9(2)17-6-4-5-11(17)7-10-8-12(14)13(18-3)16-15-10/h8-9,11H,4-7H2,1-3H3,(H2,14,15)
InChIKeyPOKHYEIRDSIMFB-UHFFFAOYSA-N
XLogP1.48
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-6-(thiolan-2-ylmethyl)pyridazin-4-amine
CID 117106065
5-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,2-oxazol-4-amine
CID 115093563
3-methoxy-6-(thian-3-ylmethyl)pyridazin-4-amine
CID 117106344
4-bromo-3-methoxy-6-[(1-methylpiperidin-2-yl)methyl]pyridazine
CID 117106215
7-methoxy-2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]imidazo[1,2-a]pyridine
CID 117134376
6-[(1-methylpiperidin-2-yl)methyl]pyridazine-3,4-diamine
CID 117106143
2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]imidazo[1,2-a]pyridin-8-amine
CID 117136747
2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 117103328
4-chloro-6-[(1-ethylpyrrolidin-2-yl)methyl]pyridazin-3-amine
CID 117106043
(1-propan-2-ylpyrrolidin-2-yl)methanamine
CID 2762717
6-cyclobutyl-3-methoxypyridazin-4-amine
CID 117127031
[(2S)-1-propan-2-ylpyrrolidin-2-yl]methanamine;hydrochloride
CID 156593878

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-6-[(1-propan-2-ylpyrrolidin-2-yl)methyl]pyridazin-4-amine?
The IUPAC name of 3-methoxy-6-[(1-propan-2-ylpyrrolidin-2-yl)methyl]pyridazin-4-amine (CID 117106079) is 3-methoxy-6-[(1-propan-2-ylpyrrolidin-2-yl)methyl]pyridazin-4-amine.
What is the SMILES notation for 3-methoxy-6-[(1-propan-2-ylpyrrolidin-2-yl)methyl]pyridazin-4-amine?
The canonical SMILES for 3-methoxy-6-[(1-propan-2-ylpyrrolidin-2-yl)methyl]pyridazin-4-amine is COc1nnc(CC2CCCN2C(C)C)cc1N.
What is the InChIKey of 3-methoxy-6-[(1-propan-2-ylpyrrolidin-2-yl)methyl]pyridazin-4-amine?
The InChIKey is POKHYEIRDSIMFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-9(2)17-6-4-5-11(17)7-10-8-12(14)13(18-3)16-15-10/h8-9,11H,4-7H2,1-3H3,(H2,14,15).
What are the key properties of 3-methoxy-6-[(1-propan-2-ylpyrrolidin-2-yl)methyl]pyridazin-4-amine?
3-methoxy-6-[(1-propan-2-ylpyrrolidin-2-yl)methyl]pyridazin-4-amine has a molecular weight of 250.35 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-6-[(1-propan-2-ylpyrrolidin-2-yl)methyl]pyridazin-4-amine is sourced from PubChem (CID 117106079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).