(1-methylpiperidin-3-yl)-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone

C17H24N8O — CID 121145994

IUPAC(1-methylpiperidin-3-yl)-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
SMILESCN1CCCC(C(=O)N2CCN(c3ccc(-n4cncn4)nn3)CC2)C1
InChIInChI=1S/C17H24N8O/c1-22-6-2-3-14(11-22)17(26)24-9-7-23(8-10-24)15-4-5-16(21-20-15)25-13-18-12-19-25/h4-5,12-14H,2-3,6-11H2,1H3
InChIKeyKTSDADZKWZZSFI-UHFFFAOYSA-N
MW356.43 g/mol
LogP0.05
Rot. Bonds3

About (1-methylpiperidin-3-yl)-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone

(1-methylpiperidin-3-yl)-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone (PubChem CID 121145994) has the molecular formula C17H24N8O and a molecular weight of 356.43 g/mol. Its IUPAC name is (1-methylpiperidin-3-yl)-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(1-methylpiperidin-3-yl)-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
PubChem CID121145994
Molecular FormulaC17H24N8O
Molecular Weight356.43 g/mol
Exact Mass356.21
IUPAC Name(1-methylpiperidin-3-yl)-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
SMILESCN1CCCC(C(=O)N2CCN(c3ccc(-n4cncn4)nn3)CC2)C1
InChIInChI=1S/C17H24N8O/c1-22-6-2-3-14(11-22)17(26)24-9-7-23(8-10-24)15-4-5-16(21-20-15)25-13-18-12-19-25/h4-5,12-14H,2-3,6-11H2,1H3
InChIKeyKTSDADZKWZZSFI-UHFFFAOYSA-N
XLogP0.05
TPSA83.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 50.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

piperidin-1-yl-[1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidin-3-yl]methanone
CID 90600945
(4-cyclobutylpiperazin-1-yl)-[1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidin-3-yl]methanone
CID 90601256
[4-(4-chlorophenyl)piperazin-1-yl]-[1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidin-3-yl]methanone
CID 90601157
[4-(2-fluorophenyl)piperazin-1-yl]-[1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidin-3-yl]methanone
CID 90600961
cyclohex-3-en-1-yl-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 72719895
2-cyclopentyl-1-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 71811000
[4-(2-chlorophenyl)piperazin-1-yl]-[1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidin-4-yl]methanone
CID 90601308
[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-[1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidin-3-yl]methanone
CID 90601094
phenyl-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121145824
[4-(pyridin-4-ylmethyl)piperazin-1-yl]-[1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidin-4-yl]methanone
CID 90601580
[(3R)-1-methylpiperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 96588049
3,4-dihydro-2H-quinolin-1-yl-[1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidin-3-yl]methanone
CID 90600970

Frequently Asked Questions

What is the IUPAC name of (1-methylpiperidin-3-yl)-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone?
The IUPAC name of (1-methylpiperidin-3-yl)-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone (CID 121145994) is (1-methylpiperidin-3-yl)-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone.
What is the SMILES notation for (1-methylpiperidin-3-yl)-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone?
The canonical SMILES for (1-methylpiperidin-3-yl)-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone is CN1CCCC(C(=O)N2CCN(c3ccc(-n4cncn4)nn3)CC2)C1.
What is the InChIKey of (1-methylpiperidin-3-yl)-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone?
The InChIKey is KTSDADZKWZZSFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N8O/c1-22-6-2-3-14(11-22)17(26)24-9-7-23(8-10-24)15-4-5-16(21-20-15)25-13-18-12-19-25/h4-5,12-14H,2-3,6-11H2,1H3.
What are the key properties of (1-methylpiperidin-3-yl)-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone?
(1-methylpiperidin-3-yl)-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone has a molecular weight of 356.43 g/mol, XLogP of 0.05, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpiperidin-3-yl)-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 121145994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).