6-chloro-N-[[1-(cyclopentylmethyl)piperidin-4-yl]methyl]pyridazin-3-amine

C16H25ClN4 — CID 91536558

IUPAC6-chloro-N-[[1-(cyclopentylmethyl)piperidin-4-yl]methyl]pyridazin-3-amine
SMILESClc1ccc(NCC2CCN(CC3CCCC3)CC2)nn1
InChIInChI=1S/C16H25ClN4/c17-15-5-6-16(20-19-15)18-11-13-7-9-21(10-8-13)12-14-3-1-2-4-14/h5-6,13-14H,1-4,7-12H2,(H,18,20)
InChIKeyBFKRYCOMIPSQTR-UHFFFAOYSA-N
MW308.86 g/mol
LogP3.44
Rot. Bonds5

About 6-chloro-N-[[1-(cyclopentylmethyl)piperidin-4-yl]methyl]pyridazin-3-amine

6-chloro-N-[[1-(cyclopentylmethyl)piperidin-4-yl]methyl]pyridazin-3-amine (PubChem CID 91536558) has the molecular formula C16H25ClN4 and a molecular weight of 308.86 g/mol. Its IUPAC name is 6-chloro-N-[[1-(cyclopentylmethyl)piperidin-4-yl]methyl]pyridazin-3-amine.

Molecular Properties

Compound Name6-chloro-N-[[1-(cyclopentylmethyl)piperidin-4-yl]methyl]pyridazin-3-amine
PubChem CID91536558
Molecular FormulaC16H25ClN4
Molecular Weight308.86 g/mol
Exact Mass308.18
IUPAC Name6-chloro-N-[[1-(cyclopentylmethyl)piperidin-4-yl]methyl]pyridazin-3-amine
SMILESClc1ccc(NCC2CCN(CC3CCCC3)CC2)nn1
InChIInChI=1S/C16H25ClN4/c17-15-5-6-16(20-19-15)18-11-13-7-9-21(10-8-13)12-14-3-1-2-4-14/h5-6,13-14H,1-4,7-12H2,(H,18,20)
InChIKeyBFKRYCOMIPSQTR-UHFFFAOYSA-N
XLogP3.44
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.86
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-[(1-methylpyrrolidin-3-yl)methyl]pyridazin-3-amine
CID 60856462
4-[[(6-chloropyridazin-3-yl)amino]methyl]piperidine-1-carboxylic acid
CID 91243111
6-chloro-N-[(1-methylazetidin-3-yl)methyl]pyridazin-3-amine
CID 131048743
N-[[1-[(3-bromo-4-fluorophenyl)methyl]piperidin-4-yl]methyl]-6-chloropyridazin-3-amine
CID 90802730
6-chloro-N-[[1-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]pyridazin-3-amine
CID 91538789
6-chloro-N-(2-pyrrolidin-1-ylethyl)pyridazin-3-amine
CID 60674018
N'-(6-chloropyridazin-3-yl)-N-cyclopropylethane-1,2-diamine
CID 62663579
6-(cyclohexylmethylamino)pyridazine-3-carbonitrile
CID 163350091
methyl 6-(cyclohexylmethylamino)pyridazine-3-carboxylate
CID 54918952
3-chloro-6-(cyclohexylmethylamino)pyridazine-4-carboxylic acid
CID 117102894
6-chloro-N-[1-(cyclopentylmethyl)piperidin-4-yl]pyrazin-2-amine
CID 47470211
N-(6-chloropyridazin-3-yl)-N'-cyclopentyl-N'-methylethane-1,2-diamine
CID 55205070

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[[1-(cyclopentylmethyl)piperidin-4-yl]methyl]pyridazin-3-amine?
The IUPAC name of 6-chloro-N-[[1-(cyclopentylmethyl)piperidin-4-yl]methyl]pyridazin-3-amine (CID 91536558) is 6-chloro-N-[[1-(cyclopentylmethyl)piperidin-4-yl]methyl]pyridazin-3-amine.
What is the SMILES notation for 6-chloro-N-[[1-(cyclopentylmethyl)piperidin-4-yl]methyl]pyridazin-3-amine?
The canonical SMILES for 6-chloro-N-[[1-(cyclopentylmethyl)piperidin-4-yl]methyl]pyridazin-3-amine is Clc1ccc(NCC2CCN(CC3CCCC3)CC2)nn1.
What is the InChIKey of 6-chloro-N-[[1-(cyclopentylmethyl)piperidin-4-yl]methyl]pyridazin-3-amine?
The InChIKey is BFKRYCOMIPSQTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN4/c17-15-5-6-16(20-19-15)18-11-13-7-9-21(10-8-13)12-14-3-1-2-4-14/h5-6,13-14H,1-4,7-12H2,(H,18,20).
What are the key properties of 6-chloro-N-[[1-(cyclopentylmethyl)piperidin-4-yl]methyl]pyridazin-3-amine?
6-chloro-N-[[1-(cyclopentylmethyl)piperidin-4-yl]methyl]pyridazin-3-amine has a molecular weight of 308.86 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[[1-(cyclopentylmethyl)piperidin-4-yl]methyl]pyridazin-3-amine is sourced from PubChem (CID 91536558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).