(1-methyl-3-thiophen-2-ylpyrazol-5-yl)-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone

C19H19N9OS — CID 121146094

IUPAC(1-methyl-3-thiophen-2-ylpyrazol-5-yl)-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
SMILESCn1nc(-c2cccs2)cc1C(=O)N1CCN(c2ccc(-n3cncn3)nn2)CC1
InChIInChI=1S/C19H19N9OS/c1-25-15(11-14(24-25)16-3-2-10-30-16)19(29)27-8-6-26(7-9-27)17-4-5-18(23-22-17)28-13-20-12-21-28/h2-5,10-13H,6-9H2,1H3
InChIKeyXBDJDWNDHGBBEY-UHFFFAOYSA-N
MW421.49 g/mol
LogP1.48
Rot. Bonds4

About (1-methyl-3-thiophen-2-ylpyrazol-5-yl)-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone

(1-methyl-3-thiophen-2-ylpyrazol-5-yl)-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone (PubChem CID 121146094) has the molecular formula C19H19N9OS and a molecular weight of 421.49 g/mol. Its IUPAC name is (1-methyl-3-thiophen-2-ylpyrazol-5-yl)-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(1-methyl-3-thiophen-2-ylpyrazol-5-yl)-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
PubChem CID121146094
Molecular FormulaC19H19N9OS
Molecular Weight421.49 g/mol
Exact Mass421.14
IUPAC Name(1-methyl-3-thiophen-2-ylpyrazol-5-yl)-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
SMILESCn1nc(-c2cccs2)cc1C(=O)N1CCN(c2ccc(-n3cncn3)nn2)CC1
InChIInChI=1S/C19H19N9OS/c1-25-15(11-14(24-25)16-3-2-10-30-16)19(29)27-8-6-26(7-9-27)17-4-5-18(23-22-17)28-13-20-12-21-28/h2-5,10-13H,6-9H2,1H3
InChIKeyXBDJDWNDHGBBEY-UHFFFAOYSA-N
XLogP1.48
TPSA97.86 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.49
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze (1-methyl-3-thiophen-2-ylpyrazol-5-yl)-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

[4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)methanone
CID 122340074
phenyl-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121145824
[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122339011
(5-thiophen-2-yl-1H-pyrazol-3-yl)-[4-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 90626568
1,3-benzothiazol-2-yl-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121146043
ethyl 1-(1-methyl-3-thiophen-2-ylpyrazole-5-carbonyl)piperidine-4-carboxylate
CID 42762142
pyridin-3-yl-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 72719875
2H-benzotriazol-5-yl-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 72719892
(3,5-dichlorophenyl)-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 121058643
(2,5-dimethylfuran-3-yl)-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 71811015
[3-(2,5-dimethoxyphenyl)-1-methylpyrazol-5-yl]-[4-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 90626649
(4-methoxyphenyl)-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121145829

Frequently Asked Questions

What is the IUPAC name of (1-methyl-3-thiophen-2-ylpyrazol-5-yl)-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone?
The IUPAC name of (1-methyl-3-thiophen-2-ylpyrazol-5-yl)-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone (CID 121146094) is (1-methyl-3-thiophen-2-ylpyrazol-5-yl)-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone.
What is the SMILES notation for (1-methyl-3-thiophen-2-ylpyrazol-5-yl)-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone?
The canonical SMILES for (1-methyl-3-thiophen-2-ylpyrazol-5-yl)-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone is Cn1nc(-c2cccs2)cc1C(=O)N1CCN(c2ccc(-n3cncn3)nn2)CC1.
What is the InChIKey of (1-methyl-3-thiophen-2-ylpyrazol-5-yl)-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone?
The InChIKey is XBDJDWNDHGBBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N9OS/c1-25-15(11-14(24-25)16-3-2-10-30-16)19(29)27-8-6-26(7-9-27)17-4-5-18(23-22-17)28-13-20-12-21-28/h2-5,10-13H,6-9H2,1H3.
What are the key properties of (1-methyl-3-thiophen-2-ylpyrazol-5-yl)-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone?
(1-methyl-3-thiophen-2-ylpyrazol-5-yl)-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone has a molecular weight of 421.49 g/mol, XLogP of 1.48, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-3-thiophen-2-ylpyrazol-5-yl)-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 121146094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).