[2-(aminomethyl)pyrrolidin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone;dihydrochloride

C14H23Cl2N5O — CID 119634141

IUPAC[2-(aminomethyl)pyrrolidin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone;dihydrochloride
SMILESCl.Cl.NCC1CCCN1C(=O)c1ccc(N2CCCC2)nn1
InChIInChI=1S/C14H21N5O.2ClH/c15-10-11-4-3-9-19(11)14(20)12-5-6-13(17-16-12)18-7-1-2-8-18;;/h5-6,11H,1-4,7-10,15H2;2*1H
InChIKeyJNKGMBZYJZNRFE-UHFFFAOYSA-N
MW348.28 g/mol
LogP1.48
Rot. Bonds3

About [2-(aminomethyl)pyrrolidin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone;dihydrochloride

[2-(aminomethyl)pyrrolidin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone;dihydrochloride (PubChem CID 119634141) has the molecular formula C14H23Cl2N5O and a molecular weight of 348.28 g/mol. Its IUPAC name is [2-(aminomethyl)pyrrolidin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone;dihydrochloride.

Molecular Properties

Compound Name[2-(aminomethyl)pyrrolidin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone;dihydrochloride
PubChem CID119634141
Molecular FormulaC14H23Cl2N5O
Molecular Weight348.28 g/mol
Exact Mass347.13
IUPAC Name[2-(aminomethyl)pyrrolidin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone;dihydrochloride
SMILESCl.Cl.NCC1CCCN1C(=O)c1ccc(N2CCCC2)nn1
InChIInChI=1S/C14H21N5O.2ClH/c15-10-11-4-3-9-19(11)14(20)12-5-6-13(17-16-12)18-7-1-2-8-18;;/h5-6,11H,1-4,7-10,15H2;2*1H
InChIKeyJNKGMBZYJZNRFE-UHFFFAOYSA-N
XLogP1.48
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.28
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(aminomethyl)pyrrolidin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(aminomethyl)pyrrolidin-1-yl]-[6-(2-chlorophenyl)sulfanylpyridazin-3-yl]methanone;hydrochloride
CID 119633725
(3-aminopiperidin-1-yl)-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone;dihydrochloride
CID 119381184
6-[2-(aminomethyl)azepan-1-yl]pyridazine-3-carboxamide
CID 116640255
[2-(aminomethyl)piperidin-1-yl]-(5-bromo-2-pyridinyl)methanone
CID 62957995
(3-ethynylpiperidin-1-yl)-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone
CID 126821251
[(4aR,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone
CID 94750784
(2-ethynylpyrrolidin-1-yl)-(6-piperazin-1-ylpyridazin-3-yl)methanone
CID 167834987
[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone
CID 95278877
[2-(aminomethyl)pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone;hydrochloride
CID 119633410
N-(2-aminoethyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide;dihydrochloride
CID 119385085
[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-phenylmethanone
CID 28706917
[2-(aminomethyl)pyrrolidin-1-yl]-(2-chlorophenyl)methanone
CID 81482963

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)pyrrolidin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone;dihydrochloride?
The IUPAC name of [2-(aminomethyl)pyrrolidin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone;dihydrochloride (CID 119634141) is [2-(aminomethyl)pyrrolidin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone;dihydrochloride.
What is the SMILES notation for [2-(aminomethyl)pyrrolidin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone;dihydrochloride?
The canonical SMILES for [2-(aminomethyl)pyrrolidin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone;dihydrochloride is Cl.Cl.NCC1CCCN1C(=O)c1ccc(N2CCCC2)nn1.
What is the InChIKey of [2-(aminomethyl)pyrrolidin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone;dihydrochloride?
The InChIKey is JNKGMBZYJZNRFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O.2ClH/c15-10-11-4-3-9-19(11)14(20)12-5-6-13(17-16-12)18-7-1-2-8-18;;/h5-6,11H,1-4,7-10,15H2;2*1H.
What are the key properties of [2-(aminomethyl)pyrrolidin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone;dihydrochloride?
[2-(aminomethyl)pyrrolidin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone;dihydrochloride has a molecular weight of 348.28 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)pyrrolidin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone;dihydrochloride is sourced from PubChem (CID 119634141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).