N-[(6-chloropyridazin-3-yl)methyl]-1-piperidin-2-ylmethanamine

C11H17ClN4 — CID 71640791

IUPACN-[(6-chloropyridazin-3-yl)methyl]-1-piperidin-2-ylmethanamine
SMILESClc1ccc(CNCC2CCCCN2)nn1
InChIInChI=1S/C11H17ClN4/c12-11-5-4-10(15-16-11)8-13-7-9-3-1-2-6-14-9/h4-5,9,13-14H,1-3,6-8H2
InChIKeyGBBFZWBPCRMWHK-UHFFFAOYSA-N
MW240.74 g/mol
LogP1.36
Rot. Bonds4

About N-[(6-chloropyridazin-3-yl)methyl]-1-piperidin-2-ylmethanamine

N-[(6-chloropyridazin-3-yl)methyl]-1-piperidin-2-ylmethanamine (PubChem CID 71640791) has the molecular formula C11H17ClN4 and a molecular weight of 240.74 g/mol. Its IUPAC name is N-[(6-chloropyridazin-3-yl)methyl]-1-piperidin-2-ylmethanamine.

Molecular Properties

Compound NameN-[(6-chloropyridazin-3-yl)methyl]-1-piperidin-2-ylmethanamine
PubChem CID71640791
Molecular FormulaC11H17ClN4
Molecular Weight240.74 g/mol
Exact Mass240.11
IUPAC NameN-[(6-chloropyridazin-3-yl)methyl]-1-piperidin-2-ylmethanamine
SMILESClc1ccc(CNCC2CCCCN2)nn1
InChIInChI=1S/C11H17ClN4/c12-11-5-4-10(15-16-11)8-13-7-9-3-1-2-6-14-9/h4-5,9,13-14H,1-3,6-8H2
InChIKeyGBBFZWBPCRMWHK-UHFFFAOYSA-N
XLogP1.36
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.74
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-chlorophenyl)methyl]-1-[(2R)-piperidin-2-yl]methanamine
CID 95731898
3-chloro-6-[[(2R)-piperidin-2-yl]methoxy]pyridazine
CID 94407353
N-[(3-chloropyrazin-2-yl)methyl]-1-[(2S)-piperidin-2-yl]methanamine
CID 97163969
N-[(2-methylpyrimidin-4-yl)methyl]-1-piperidin-2-ylmethanamine
CID 106633706
N-[(3,4-dichlorophenyl)methyl]-1-[(2R)-pyrrolidin-2-yl]methanamine
CID 86329577
N-(1,2-oxazol-5-ylmethyl)-1-piperidin-2-ylmethanamine
CID 106415135
1-[(2R)-piperidin-2-yl]-N-(pyridin-3-ylmethyl)methanamine
CID 97178382
2-[(pyrrolidin-2-ylmethylamino)methyl]phenol
CID 103846509
N-[(4-methyl-3-pyridinyl)methyl]-1-piperidin-2-ylmethanamine
CID 106634516
1-piperidin-2-yl-N-(1H-pyrazol-4-ylmethyl)methanamine
CID 106633696
N-(naphthalen-1-ylmethyl)-1-piperidin-2-ylmethanamine
CID 106633869
1-(azepan-2-yl)-N-[(5-methylfuran-2-yl)methyl]methanamine
CID 64570983

Frequently Asked Questions

What is the IUPAC name of N-[(6-chloropyridazin-3-yl)methyl]-1-piperidin-2-ylmethanamine?
The IUPAC name of N-[(6-chloropyridazin-3-yl)methyl]-1-piperidin-2-ylmethanamine (CID 71640791) is N-[(6-chloropyridazin-3-yl)methyl]-1-piperidin-2-ylmethanamine.
What is the SMILES notation for N-[(6-chloropyridazin-3-yl)methyl]-1-piperidin-2-ylmethanamine?
The canonical SMILES for N-[(6-chloropyridazin-3-yl)methyl]-1-piperidin-2-ylmethanamine is Clc1ccc(CNCC2CCCCN2)nn1.
What is the InChIKey of N-[(6-chloropyridazin-3-yl)methyl]-1-piperidin-2-ylmethanamine?
The InChIKey is GBBFZWBPCRMWHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4/c12-11-5-4-10(15-16-11)8-13-7-9-3-1-2-6-14-9/h4-5,9,13-14H,1-3,6-8H2.
What are the key properties of N-[(6-chloropyridazin-3-yl)methyl]-1-piperidin-2-ylmethanamine?
N-[(6-chloropyridazin-3-yl)methyl]-1-piperidin-2-ylmethanamine has a molecular weight of 240.74 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloropyridazin-3-yl)methyl]-1-piperidin-2-ylmethanamine is sourced from PubChem (CID 71640791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).