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

C12H19ClN4 — CID 117106182

IUPAC4-chloro-6-[(1-ethylpiperidin-2-yl)methyl]pyridazin-3-amine
SMILESCCN1CCCCC1Cc1cc(Cl)c(N)nn1
InChIInChI=1S/C12H19ClN4/c1-2-17-6-4-3-5-10(17)7-9-8-11(13)12(14)16-15-9/h8,10H,2-7H2,1H3,(H2,14,16)
InChIKeyLAWSRZAYNLBPLD-UHFFFAOYSA-N
MW254.76 g/mol
LogP2.13
Rot. Bonds3

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

4-chloro-6-[(1-ethylpiperidin-2-yl)methyl]pyridazin-3-amine (PubChem CID 117106182) has the molecular formula C12H19ClN4 and a molecular weight of 254.76 g/mol. Its IUPAC name is 4-chloro-6-[(1-ethylpiperidin-2-yl)methyl]pyridazin-3-amine.

Molecular Properties

Compound Name4-chloro-6-[(1-ethylpiperidin-2-yl)methyl]pyridazin-3-amine
PubChem CID117106182
Molecular FormulaC12H19ClN4
Molecular Weight254.76 g/mol
Exact Mass254.13
IUPAC Name4-chloro-6-[(1-ethylpiperidin-2-yl)methyl]pyridazin-3-amine
SMILESCCN1CCCCC1Cc1cc(Cl)c(N)nn1
InChIInChI=1S/C12H19ClN4/c1-2-17-6-4-3-5-10(17)7-9-8-11(13)12(14)16-15-9/h8,10H,2-7H2,1H3,(H2,14,16)
InChIKeyLAWSRZAYNLBPLD-UHFFFAOYSA-N
XLogP2.13
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-6-[(1-ethylpyrrolidin-2-yl)methyl]pyridazin-3-amine
CID 117106043
4-chloro-6-[(1-methylpiperidin-4-yl)methyl]pyridazin-3-amine
CID 117105464
6-[(1-methylpiperidin-2-yl)methyl]pyridazine-3,4-diamine
CID 117106143
[3-[(1-ethylpiperidin-2-yl)methyl]-1-methylpyrazol-5-yl]methanol
CID 115092755
[3-[(1-ethylpyrrolidin-2-yl)methyl]-1-methylpyrazol-5-yl]methanamine
CID 115092671
6-(1-ethylpiperidin-2-yl)pyridazine-3,4-diamine
CID 117105899
6-chloro-3-[(1-ethylpiperidin-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 117139331
[5-[(1-ethylpyrrolidin-2-yl)methyl]-1,2-oxazol-3-yl]methanamine
CID 115094111
[2-[(1-ethylpiperidin-2-yl)methyl]imidazo[1,2-a]pyridin-6-yl]methanamine
CID 117129906
2-[(1-ethylpiperidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-8-amine
CID 117136884
1,2-diethylpiperidine
CID 19604037
6-chloro-2-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-methylpyridine-2,4-diamine
CID 104924609

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[(1-ethylpiperidin-2-yl)methyl]pyridazin-3-amine?
The IUPAC name of 4-chloro-6-[(1-ethylpiperidin-2-yl)methyl]pyridazin-3-amine (CID 117106182) is 4-chloro-6-[(1-ethylpiperidin-2-yl)methyl]pyridazin-3-amine.
What is the SMILES notation for 4-chloro-6-[(1-ethylpiperidin-2-yl)methyl]pyridazin-3-amine?
The canonical SMILES for 4-chloro-6-[(1-ethylpiperidin-2-yl)methyl]pyridazin-3-amine is CCN1CCCCC1Cc1cc(Cl)c(N)nn1.
What is the InChIKey of 4-chloro-6-[(1-ethylpiperidin-2-yl)methyl]pyridazin-3-amine?
The InChIKey is LAWSRZAYNLBPLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4/c1-2-17-6-4-3-5-10(17)7-9-8-11(13)12(14)16-15-9/h8,10H,2-7H2,1H3,(H2,14,16).
What are the key properties of 4-chloro-6-[(1-ethylpiperidin-2-yl)methyl]pyridazin-3-amine?
4-chloro-6-[(1-ethylpiperidin-2-yl)methyl]pyridazin-3-amine has a molecular weight of 254.76 g/mol, XLogP of 2.13, 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-ethylpiperidin-2-yl)methyl]pyridazin-3-amine is sourced from PubChem (CID 117106182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).