4-chloro-6-[(1-ethylpyrrolidin-2-yl)methyl]pyridazin-3-amine

C11H17ClN4 — CID 117106043

IUPAC4-chloro-6-[(1-ethylpyrrolidin-2-yl)methyl]pyridazin-3-amine
SMILESCCN1CCCC1Cc1cc(Cl)c(N)nn1
InChIInChI=1S/C11H17ClN4/c1-2-16-5-3-4-9(16)6-8-7-10(12)11(13)15-14-8/h7,9H,2-6H2,1H3,(H2,13,15)
InChIKeyFILMOQJXVHXSJQ-UHFFFAOYSA-N
MW240.74 g/mol
LogP1.74
Rot. Bonds3

About 4-chloro-6-[(1-ethylpyrrolidin-2-yl)methyl]pyridazin-3-amine

4-chloro-6-[(1-ethylpyrrolidin-2-yl)methyl]pyridazin-3-amine (PubChem CID 117106043) has the molecular formula C11H17ClN4 and a molecular weight of 240.74 g/mol. Its IUPAC name is 4-chloro-6-[(1-ethylpyrrolidin-2-yl)methyl]pyridazin-3-amine.

Molecular Properties

Compound Name4-chloro-6-[(1-ethylpyrrolidin-2-yl)methyl]pyridazin-3-amine
PubChem CID117106043
Molecular FormulaC11H17ClN4
Molecular Weight240.74 g/mol
Exact Mass240.11
IUPAC Name4-chloro-6-[(1-ethylpyrrolidin-2-yl)methyl]pyridazin-3-amine
SMILESCCN1CCCC1Cc1cc(Cl)c(N)nn1
InChIInChI=1S/C11H17ClN4/c1-2-16-5-3-4-9(16)6-8-7-10(12)11(13)15-14-8/h7,9H,2-6H2,1H3,(H2,13,15)
InChIKeyFILMOQJXVHXSJQ-UHFFFAOYSA-N
XLogP1.74
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.74
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-6-[(1-ethylpiperidin-2-yl)methyl]pyridazin-3-amine
CID 117106182
[3-[(1-ethylpyrrolidin-2-yl)methyl]-1-methylpyrazol-5-yl]methanamine
CID 115092671
[5-[(1-ethylpyrrolidin-2-yl)methyl]-1,2-oxazol-3-yl]methanamine
CID 115094111
6-[(1-methylpiperidin-2-yl)methyl]pyridazine-3,4-diamine
CID 117106143
6-chloro-2-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-methylpyridine-2,4-diamine
CID 104924609
2-chloro-1-N-[(1-ethylpyrrolidin-2-yl)methyl]benzene-1,4-diamine
CID 43115512
4-(aminomethyl)-5-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridin-2-amine
CID 114926731
3-methoxy-6-[(1-propan-2-ylpyrrolidin-2-yl)methyl]pyridazin-4-amine
CID 117106079
7-chloro-2-[(1-ethylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 117134466
[3-[(1-ethylpiperidin-2-yl)methyl]-1-methylpyrazol-5-yl]methanol
CID 115092755
2-[(1-ethylpyrrolidin-2-yl)methyl]-6-methylimidazo[1,2-a]pyridine
CID 117129834
4-amino-3,5-dichloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylbenzamide
CID 82813502

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[(1-ethylpyrrolidin-2-yl)methyl]pyridazin-3-amine?
The IUPAC name of 4-chloro-6-[(1-ethylpyrrolidin-2-yl)methyl]pyridazin-3-amine (CID 117106043) is 4-chloro-6-[(1-ethylpyrrolidin-2-yl)methyl]pyridazin-3-amine.
What is the SMILES notation for 4-chloro-6-[(1-ethylpyrrolidin-2-yl)methyl]pyridazin-3-amine?
The canonical SMILES for 4-chloro-6-[(1-ethylpyrrolidin-2-yl)methyl]pyridazin-3-amine is CCN1CCCC1Cc1cc(Cl)c(N)nn1.
What is the InChIKey of 4-chloro-6-[(1-ethylpyrrolidin-2-yl)methyl]pyridazin-3-amine?
The InChIKey is FILMOQJXVHXSJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4/c1-2-16-5-3-4-9(16)6-8-7-10(12)11(13)15-14-8/h7,9H,2-6H2,1H3,(H2,13,15).
What are the key properties of 4-chloro-6-[(1-ethylpyrrolidin-2-yl)methyl]pyridazin-3-amine?
4-chloro-6-[(1-ethylpyrrolidin-2-yl)methyl]pyridazin-3-amine has a molecular weight of 240.74 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[(1-ethylpyrrolidin-2-yl)methyl]pyridazin-3-amine is sourced from PubChem (CID 117106043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).