[1-[6-(1H-pyrrol-3-yl)pyridazin-3-yl]pyrrolidin-3-yl]methanamine

C13H17N5 — CID 116972994

IUPAC[1-[6-(1H-pyrrol-3-yl)pyridazin-3-yl]pyrrolidin-3-yl]methanamine
SMILESNCC1CCN(c2ccc(-c3cc[nH]c3)nn2)C1
InChIInChI=1S/C13H17N5/c14-7-10-4-6-18(9-10)13-2-1-12(16-17-13)11-3-5-15-8-11/h1-3,5,8,10,15H,4,6-7,9,14H2
InChIKeyPBOJLHFOMRDGMS-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.26
Rot. Bonds3

About [1-[6-(1H-pyrrol-3-yl)pyridazin-3-yl]pyrrolidin-3-yl]methanamine

[1-[6-(1H-pyrrol-3-yl)pyridazin-3-yl]pyrrolidin-3-yl]methanamine (PubChem CID 116972994) has the molecular formula C13H17N5 and a molecular weight of 243.31 g/mol. Its IUPAC name is [1-[6-(1H-pyrrol-3-yl)pyridazin-3-yl]pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-[6-(1H-pyrrol-3-yl)pyridazin-3-yl]pyrrolidin-3-yl]methanamine
PubChem CID116972994
Molecular FormulaC13H17N5
Molecular Weight243.31 g/mol
Exact Mass243.15
IUPAC Name[1-[6-(1H-pyrrol-3-yl)pyridazin-3-yl]pyrrolidin-3-yl]methanamine
SMILESNCC1CCN(c2ccc(-c3cc[nH]c3)nn2)C1
InChIInChI=1S/C13H17N5/c14-7-10-4-6-18(9-10)13-2-1-12(16-17-13)11-3-5-15-8-11/h1-3,5,8,10,15H,4,6-7,9,14H2
InChIKeyPBOJLHFOMRDGMS-UHFFFAOYSA-N
XLogP1.26
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[6-(1H-pyrrol-3-yl)pyridazin-3-yl]pyrrolidin-3-yl]ethanol
CID 116972925
[(3R)-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]methanamine
CID 94342238
[(3S)-1-(6-chloropyridazin-3-yl)pyrrolidin-3-yl]methanamine
CID 94342103
[1-(6-pyridin-3-ylpyridazin-3-yl)piperidin-3-yl]methanamine
CID 116972450
methyl 6-[3-(aminomethyl)pyrrolidin-1-yl]pyridazine-3-carboxylate
CID 62063099
[1-[5-(1H-pyrrol-3-yl)pyrimidin-2-yl]piperidin-3-yl]methanamine
CID 116976207
[1-(6-pyridin-2-ylpyridazin-3-yl)piperidin-3-yl]methanamine
CID 116972449
3-(4-fluorophenyl)-6-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]pyridazine
CID 133341779
[1-[6-(3-methylphenyl)pyridazin-3-yl]pyrrolidin-3-yl]methanol
CID 116972855
[1-(6-cyclopentylpyridazin-3-yl)piperidin-4-yl]methanamine
CID 116972435
1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidin-4-amine
CID 56770269
1-[6-(4-fluorophenyl)pyridazin-3-yl]pyrrolidin-3-ol
CID 56770273

Frequently Asked Questions

What is the IUPAC name of [1-[6-(1H-pyrrol-3-yl)pyridazin-3-yl]pyrrolidin-3-yl]methanamine?
The IUPAC name of [1-[6-(1H-pyrrol-3-yl)pyridazin-3-yl]pyrrolidin-3-yl]methanamine (CID 116972994) is [1-[6-(1H-pyrrol-3-yl)pyridazin-3-yl]pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-[6-(1H-pyrrol-3-yl)pyridazin-3-yl]pyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-[6-(1H-pyrrol-3-yl)pyridazin-3-yl]pyrrolidin-3-yl]methanamine is NCC1CCN(c2ccc(-c3cc[nH]c3)nn2)C1.
What is the InChIKey of [1-[6-(1H-pyrrol-3-yl)pyridazin-3-yl]pyrrolidin-3-yl]methanamine?
The InChIKey is PBOJLHFOMRDGMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5/c14-7-10-4-6-18(9-10)13-2-1-12(16-17-13)11-3-5-15-8-11/h1-3,5,8,10,15H,4,6-7,9,14H2.
What are the key properties of [1-[6-(1H-pyrrol-3-yl)pyridazin-3-yl]pyrrolidin-3-yl]methanamine?
[1-[6-(1H-pyrrol-3-yl)pyridazin-3-yl]pyrrolidin-3-yl]methanamine has a molecular weight of 243.31 g/mol, XLogP of 1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[6-(1H-pyrrol-3-yl)pyridazin-3-yl]pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 116972994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).