2-[[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]methyl]pentanedinitrile

C16H22N6 — CID 56780826

IUPAC2-[[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]methyl]pentanedinitrile
SMILESCN(CC(C#N)CCC#N)CC1CCCN1c1cccnn1
InChIInChI=1S/C16H22N6/c1-21(12-14(11-18)5-2-8-17)13-15-6-4-10-22(15)16-7-3-9-19-20-16/h3,7,9,14-15H,2,4-6,10,12-13H2,1H3
InChIKeyUUJZQEKVODXYSN-UHFFFAOYSA-N
MW298.39 g/mol
LogP1.82
Rot. Bonds7

About 2-[[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]methyl]pentanedinitrile

2-[[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]methyl]pentanedinitrile (PubChem CID 56780826) has the molecular formula C16H22N6 and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-[[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]methyl]pentanedinitrile.

Molecular Properties

Compound Name2-[[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]methyl]pentanedinitrile
PubChem CID56780826
Molecular FormulaC16H22N6
Molecular Weight298.39 g/mol
Exact Mass298.19
IUPAC Name2-[[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]methyl]pentanedinitrile
SMILESCN(CC(C#N)CCC#N)CC1CCCN1c1cccnn1
InChIInChI=1S/C16H22N6/c1-21(12-14(11-18)5-2-8-17)13-15-6-4-10-22(15)16-7-3-9-19-20-16/h3,7,9,14-15H,2,4-6,10,12-13H2,1H3
InChIKeyUUJZQEKVODXYSN-UHFFFAOYSA-N
XLogP1.82
TPSA79.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-1-[methyl-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]amino]-3-pyrazol-1-ylpropan-2-ol
CID 95610890
1-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]-3-phenoxypropan-2-ol
CID 56778258
N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1-[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methanamine
CID 95600239
N-(2-cyanoethyl)-N-(2,3-dimethylphenyl)-2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]acetamide
CID 86894509
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine
CID 56778274
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-1-[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methanamine
CID 95600328
N-methyl-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]pyridin-2-amine
CID 133281245
N-methyl-2-(4-propoxyphenoxy)-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]ethanamine
CID 86894797
N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine
CID 56778278
N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine
CID 56778280
N-methyl-N-[(3-methylquinoxalin-2-yl)methyl]-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine
CID 56781014
N-[(5-bromothiophen-3-yl)methyl]-N-methyl-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine
CID 86894511

Frequently Asked Questions

What is the IUPAC name of 2-[[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]methyl]pentanedinitrile?
The IUPAC name of 2-[[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]methyl]pentanedinitrile (CID 56780826) is 2-[[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]methyl]pentanedinitrile.
What is the SMILES notation for 2-[[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]methyl]pentanedinitrile?
The canonical SMILES for 2-[[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]methyl]pentanedinitrile is CN(CC(C#N)CCC#N)CC1CCCN1c1cccnn1.
What is the InChIKey of 2-[[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]methyl]pentanedinitrile?
The InChIKey is UUJZQEKVODXYSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6/c1-21(12-14(11-18)5-2-8-17)13-15-6-4-10-22(15)16-7-3-9-19-20-16/h3,7,9,14-15H,2,4-6,10,12-13H2,1H3.
What are the key properties of 2-[[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]methyl]pentanedinitrile?
2-[[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]methyl]pentanedinitrile has a molecular weight of 298.39 g/mol, XLogP of 1.82, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]methyl]pentanedinitrile is sourced from PubChem (CID 56780826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).