3-chloro-6-[4-[(5-ethyl-2-pyridinyl)methyl]piperazin-1-yl]pyridazine

C16H20ClN5 — CID 50954973

IUPAC3-chloro-6-[4-[(5-ethyl-2-pyridinyl)methyl]piperazin-1-yl]pyridazine
SMILESCCc1ccc(CN2CCN(c3ccc(Cl)nn3)CC2)nc1
InChIInChI=1S/C16H20ClN5/c1-2-13-3-4-14(18-11-13)12-21-7-9-22(10-8-21)16-6-5-15(17)19-20-16/h3-6,11H,2,7-10,12H2,1H3
InChIKeyYGRQJTJHEYNFSO-UHFFFAOYSA-N
MW317.82 g/mol
LogP2.41
Rot. Bonds4

About 3-chloro-6-[4-[(5-ethyl-2-pyridinyl)methyl]piperazin-1-yl]pyridazine

3-chloro-6-[4-[(5-ethyl-2-pyridinyl)methyl]piperazin-1-yl]pyridazine (PubChem CID 50954973) has the molecular formula C16H20ClN5 and a molecular weight of 317.82 g/mol. Its IUPAC name is 3-chloro-6-[4-[(5-ethyl-2-pyridinyl)methyl]piperazin-1-yl]pyridazine.

Molecular Properties

Compound Name3-chloro-6-[4-[(5-ethyl-2-pyridinyl)methyl]piperazin-1-yl]pyridazine
PubChem CID50954973
Molecular FormulaC16H20ClN5
Molecular Weight317.82 g/mol
Exact Mass317.14
IUPAC Name3-chloro-6-[4-[(5-ethyl-2-pyridinyl)methyl]piperazin-1-yl]pyridazine
SMILESCCc1ccc(CN2CCN(c3ccc(Cl)nn3)CC2)nc1
InChIInChI=1S/C16H20ClN5/c1-2-13-3-4-14(18-11-13)12-21-7-9-22(10-8-21)16-6-5-15(17)19-20-16/h3-6,11H,2,7-10,12H2,1H3
InChIKeyYGRQJTJHEYNFSO-UHFFFAOYSA-N
XLogP2.41
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-(4-chlorophenyl)-4-(4-pyridinyl)-1H-pyrazol-3-yl)-4-methylpiperazine
CID 15541506
N-(4-chlorophenyl)-4,5-dimethyl-6-(pyridin-4-ylmethyl)pyridazin-3-amine
CID 6419385
1-[5-(4-chlorophenyl)-4-(4-pyridinyl)-1H-pyrazol-3-yl]-3,5-dimethylpiperazine
CID 9842184
1-[3-(4-chlorophenyl)-4-(pyridin-4-yl)-1H-pyrazol-5-yl]-3-methylpiperazine
CID 22037576
N, N-dimethyl-6-phenyl-5-(pyridin-4-yl)pyridazin-3-amine
CID 59867354
6-(4-Methylpiperazin-1-yl)-3-phenyl-4-pyridin-4-ylpyridazine
CID 59867414
4-[3-(4-chlorophenyl)-5-(3,5-dimethylpiperidin-1-yl)-1H-pyrazol-4-yl]pyridine
CID 23648269
4-[3-(4-chlorophenyl)-5-(4-methylpiperidin-1-yl)-1H-pyrazol-4-yl]pyridine
CID 23648270
N-(4-chlorophenyl)-N-methyl-4-(pyridin-4-ylmethyl)phthalazin-1-amine
CID 6326413
3-Phenyl-6-piperazin-1-yl-4-pyridin-4-ylpyridazine
CID 59867520
N-methyl-6-phenyl-N-propyl-5-(pyridin-4-yl)pyridazin-3-amine
CID 121317299
N, N-diethyl-6-phenyl-5-(pyridin-4-yl)pyridazin-3-amine
CID 131747632

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[4-[(5-ethyl-2-pyridinyl)methyl]piperazin-1-yl]pyridazine?
The IUPAC name of 3-chloro-6-[4-[(5-ethyl-2-pyridinyl)methyl]piperazin-1-yl]pyridazine (CID 50954973) is 3-chloro-6-[4-[(5-ethyl-2-pyridinyl)methyl]piperazin-1-yl]pyridazine.
What is the SMILES notation for 3-chloro-6-[4-[(5-ethyl-2-pyridinyl)methyl]piperazin-1-yl]pyridazine?
The canonical SMILES for 3-chloro-6-[4-[(5-ethyl-2-pyridinyl)methyl]piperazin-1-yl]pyridazine is CCc1ccc(CN2CCN(c3ccc(Cl)nn3)CC2)nc1.
What is the InChIKey of 3-chloro-6-[4-[(5-ethyl-2-pyridinyl)methyl]piperazin-1-yl]pyridazine?
The InChIKey is YGRQJTJHEYNFSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN5/c1-2-13-3-4-14(18-11-13)12-21-7-9-22(10-8-21)16-6-5-15(17)19-20-16/h3-6,11H,2,7-10,12H2,1H3.
What are the key properties of 3-chloro-6-[4-[(5-ethyl-2-pyridinyl)methyl]piperazin-1-yl]pyridazine?
3-chloro-6-[4-[(5-ethyl-2-pyridinyl)methyl]piperazin-1-yl]pyridazine has a molecular weight of 317.82 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[4-[(5-ethyl-2-pyridinyl)methyl]piperazin-1-yl]pyridazine is sourced from PubChem (CID 50954973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).