6-[(1-propan-2-ylpiperidin-4-yl)methyl]pyridazin-4-amine

C13H22N4 — CID 117105486

IUPAC6-[(1-propan-2-ylpiperidin-4-yl)methyl]pyridazin-4-amine
SMILESCC(C)N1CCC(Cc2cc(N)cnn2)CC1
InChIInChI=1S/C13H22N4/c1-10(2)17-5-3-11(4-6-17)7-13-8-12(14)9-15-16-13/h8-11H,3-7H2,1-2H3,(H2,14,16)
InChIKeyDLMYJFJSRDYFOV-UHFFFAOYSA-N
MW234.35 g/mol
LogP1.72
Rot. Bonds3

About 6-[(1-propan-2-ylpiperidin-4-yl)methyl]pyridazin-4-amine

6-[(1-propan-2-ylpiperidin-4-yl)methyl]pyridazin-4-amine (PubChem CID 117105486) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 6-[(1-propan-2-ylpiperidin-4-yl)methyl]pyridazin-4-amine.

Molecular Properties

Compound Name6-[(1-propan-2-ylpiperidin-4-yl)methyl]pyridazin-4-amine
PubChem CID117105486
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name6-[(1-propan-2-ylpiperidin-4-yl)methyl]pyridazin-4-amine
SMILESCC(C)N1CCC(Cc2cc(N)cnn2)CC1
InChIInChI=1S/C13H22N4/c1-10(2)17-5-3-11(4-6-17)7-13-8-12(14)9-15-16-13/h8-11H,3-7H2,1-2H3,(H2,14,16)
InChIKeyDLMYJFJSRDYFOV-UHFFFAOYSA-N
XLogP1.72
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(1-ethylpiperidin-4-yl)methyl]pyridazin-4-amine
CID 117105485
3-chloro-6-[(1-propan-2-ylpiperidin-4-yl)methyl]pyridazin-4-amine
CID 117105492
6-(thian-4-ylmethyl)pyridazin-4-amine
CID 117105435
4-chloro-6-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrimidine
CID 175661191
[3-[(1-propan-2-ylpiperidin-4-yl)methyl]-1H-pyrazol-5-yl]methanol
CID 115092392
2-[(1-propan-2-ylpiperidin-4-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-amine
CID 117157767
5-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridine-3,5-diamine
CID 104534038
5-methyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridine
CID 122607446
4-benzyl-1-propan-2-ylpiperidine
CID 22959492
4-(1H-imidazol-5-ylmethyl)-1-propan-2-ylpiperidine;dihydrobromide
CID 11210868
5-chloro-3-[(1-methylpyrrolidin-3-yl)methyl]pyridazine
CID 117105324
6-(1-propan-2-ylpiperidin-4-yl)pyridazin-3-amine
CID 117105205

Frequently Asked Questions

What is the IUPAC name of 6-[(1-propan-2-ylpiperidin-4-yl)methyl]pyridazin-4-amine?
The IUPAC name of 6-[(1-propan-2-ylpiperidin-4-yl)methyl]pyridazin-4-amine (CID 117105486) is 6-[(1-propan-2-ylpiperidin-4-yl)methyl]pyridazin-4-amine.
What is the SMILES notation for 6-[(1-propan-2-ylpiperidin-4-yl)methyl]pyridazin-4-amine?
The canonical SMILES for 6-[(1-propan-2-ylpiperidin-4-yl)methyl]pyridazin-4-amine is CC(C)N1CCC(Cc2cc(N)cnn2)CC1.
What is the InChIKey of 6-[(1-propan-2-ylpiperidin-4-yl)methyl]pyridazin-4-amine?
The InChIKey is DLMYJFJSRDYFOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-10(2)17-5-3-11(4-6-17)7-13-8-12(14)9-15-16-13/h8-11H,3-7H2,1-2H3,(H2,14,16).
What are the key properties of 6-[(1-propan-2-ylpiperidin-4-yl)methyl]pyridazin-4-amine?
6-[(1-propan-2-ylpiperidin-4-yl)methyl]pyridazin-4-amine has a molecular weight of 234.35 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-propan-2-ylpiperidin-4-yl)methyl]pyridazin-4-amine is sourced from PubChem (CID 117105486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).