7-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine

C16H17ClN6 — CID 53189613

IUPAC7-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESClc1cccc(CN2CCN(c3cnn4cnnc4c3)CC2)c1
InChIInChI=1S/C16H17ClN6/c17-14-3-1-2-13(8-14)11-21-4-6-22(7-5-21)15-9-16-20-18-12-23(16)19-10-15/h1-3,8-10,12H,4-7,11H2
InChIKeyHRHGFSULZQXWGK-UHFFFAOYSA-N
MW328.81 g/mol
LogP2.10
Rot. Bonds3

About 7-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine

7-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 53189613) has the molecular formula C16H17ClN6 and a molecular weight of 328.81 g/mol. Its IUPAC name is 7-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name7-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID53189613
Molecular FormulaC16H17ClN6
Molecular Weight328.81 g/mol
Exact Mass328.12
IUPAC Name7-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESClc1cccc(CN2CCN(c3cnn4cnnc4c3)CC2)c1
InChIInChI=1S/C16H17ClN6/c17-14-3-1-2-13(8-14)11-21-4-6-22(7-5-21)15-9-16-20-18-12-23(16)19-10-15/h1-3,8-10,12H,4-7,11H2
InChIKeyHRHGFSULZQXWGK-UHFFFAOYSA-N
XLogP2.10
TPSA49.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.81
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(3-chlorophenyl)methyl]-4-(3-chloro-4-pyridinyl)piperazine
CID 133358248
1-[(3-chlorophenyl)methyl]pyrrolidine
CID 12738005
1-(2-bromoethyl)-4-[(3-chlorophenyl)methyl]piperazine
CID 80675337
1-[(3-chlorophenyl)methyl]-4-[(3-fluorophenyl)methyl]piperazine
CID 3133648
1-(3-chlorophenyl)-4-[(2-chloro-4-pyridinyl)methyl]piperazine
CID 62047060
4-chloro-5-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-phenylpyridazin-3-one
CID 9172556
6-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 17417962
2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-1,3-thiazole
CID 78805879
1-[(3-chlorophenyl)methyl]-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazine
CID 90507605
1-(3-chlorophenyl)-4-[(4-fluorophenyl)methyl]piperazine
CID 763195
3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]phenol
CID 2838458
6-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]pyrazine-2-carboxamide
CID 133358244

Frequently Asked Questions

What is the IUPAC name of 7-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 7-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine (CID 53189613) is 7-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 7-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 7-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine is Clc1cccc(CN2CCN(c3cnn4cnnc4c3)CC2)c1.
What is the InChIKey of 7-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is HRHGFSULZQXWGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN6/c17-14-3-1-2-13(8-14)11-21-4-6-22(7-5-21)15-9-16-20-18-12-23(16)19-10-15/h1-3,8-10,12H,4-7,11H2.
What are the key properties of 7-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
7-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 328.81 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 53189613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).