5-[4-(5,6-dimethylpyridazin-3-yl)piperazin-1-yl]-2-methyl-[1,2,4]triazolo[1,5-a]pyrazine

C16H20N8 — CID 129007502

IUPAC5-[4-(5,6-dimethylpyridazin-3-yl)piperazin-1-yl]-2-methyl-[1,2,4]triazolo[1,5-a]pyrazine
SMILESCc1nc2cncc(N3CCN(c4cc(C)c(C)nn4)CC3)n2n1
InChIInChI=1S/C16H20N8/c1-11-8-14(20-19-12(11)2)22-4-6-23(7-5-22)16-10-17-9-15-18-13(3)21-24(15)16/h8-10H,4-7H2,1-3H3
InChIKeyYXLLEJWFBXIXBW-UHFFFAOYSA-N
MW324.39 g/mol
LogP1.17
Rot. Bonds2

About 5-[4-(5,6-dimethylpyridazin-3-yl)piperazin-1-yl]-2-methyl-[1,2,4]triazolo[1,5-a]pyrazine

5-[4-(5,6-dimethylpyridazin-3-yl)piperazin-1-yl]-2-methyl-[1,2,4]triazolo[1,5-a]pyrazine (PubChem CID 129007502) has the molecular formula C16H20N8 and a molecular weight of 324.39 g/mol. Its IUPAC name is 5-[4-(5,6-dimethylpyridazin-3-yl)piperazin-1-yl]-2-methyl-[1,2,4]triazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name5-[4-(5,6-dimethylpyridazin-3-yl)piperazin-1-yl]-2-methyl-[1,2,4]triazolo[1,5-a]pyrazine
PubChem CID129007502
Molecular FormulaC16H20N8
Molecular Weight324.39 g/mol
Exact Mass324.18
IUPAC Name5-[4-(5,6-dimethylpyridazin-3-yl)piperazin-1-yl]-2-methyl-[1,2,4]triazolo[1,5-a]pyrazine
SMILESCc1nc2cncc(N3CCN(c4cc(C)c(C)nn4)CC3)n2n1
InChIInChI=1S/C16H20N8/c1-11-8-14(20-19-12(11)2)22-4-6-23(7-5-22)16-10-17-9-15-18-13(3)21-24(15)16/h8-10H,4-7H2,1-3H3
InChIKeyYXLLEJWFBXIXBW-UHFFFAOYSA-N
XLogP1.17
TPSA75.34 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

(3,5-dimethyl-1,2-oxazol-4-yl)-[4-(2-methyl-[1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazin-1-yl]methanone
CID 129007915
4-(2-methyl-[1,2,4]triazolo[1,5-a]pyrazin-5-yl)-N-pyridin-4-ylpiperazine-1-carboxamide
CID 128969218
5-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-2-methyl-[1,2,4]triazolo[1,5-a]pyrazine
CID 129003796
5-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-2-methyl-[1,2,4]triazolo[1,5-a]pyrazine
CID 129002804
2-methyl-5-[4-[(1-propyltetrazol-5-yl)methyl]piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrazine
CID 129003770
(3-methyl-2-pyridinyl)-[4-(2-methyl-[1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazin-1-yl]methanone
CID 129007924
1-[4-(2-methyl-[1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazin-1-yl]-2-[(2S)-oxan-2-yl]ethanone
CID 129342151
4-(2-methyl-[1,2,4]triazolo[1,5-a]pyrazin-5-yl)-N-(1,2-oxazol-3-yl)piperazine-1-carboxamide
CID 129002357
3-(furan-2-yl)-1-[4-(2-methyl-[1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazin-1-yl]propan-1-one
CID 129002349
N-[(1R)-cyclohex-2-en-1-yl]-4-(2-methyl-[1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazine-1-carboxamide
CID 129342255
2-[4-(5,6-dimethylpyridazin-3-yl)piperazin-1-yl]-N-methylacetamide
CID 133489644
tert-butyl 4-(5,6-dimethylpyridazin-3-yl)piperazine-1-carboxylate;ethane
CID 143735501

Frequently Asked Questions

What is the IUPAC name of 5-[4-(5,6-dimethylpyridazin-3-yl)piperazin-1-yl]-2-methyl-[1,2,4]triazolo[1,5-a]pyrazine?
The IUPAC name of 5-[4-(5,6-dimethylpyridazin-3-yl)piperazin-1-yl]-2-methyl-[1,2,4]triazolo[1,5-a]pyrazine (CID 129007502) is 5-[4-(5,6-dimethylpyridazin-3-yl)piperazin-1-yl]-2-methyl-[1,2,4]triazolo[1,5-a]pyrazine.
What is the SMILES notation for 5-[4-(5,6-dimethylpyridazin-3-yl)piperazin-1-yl]-2-methyl-[1,2,4]triazolo[1,5-a]pyrazine?
The canonical SMILES for 5-[4-(5,6-dimethylpyridazin-3-yl)piperazin-1-yl]-2-methyl-[1,2,4]triazolo[1,5-a]pyrazine is Cc1nc2cncc(N3CCN(c4cc(C)c(C)nn4)CC3)n2n1.
What is the InChIKey of 5-[4-(5,6-dimethylpyridazin-3-yl)piperazin-1-yl]-2-methyl-[1,2,4]triazolo[1,5-a]pyrazine?
The InChIKey is YXLLEJWFBXIXBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N8/c1-11-8-14(20-19-12(11)2)22-4-6-23(7-5-22)16-10-17-9-15-18-13(3)21-24(15)16/h8-10H,4-7H2,1-3H3.
What are the key properties of 5-[4-(5,6-dimethylpyridazin-3-yl)piperazin-1-yl]-2-methyl-[1,2,4]triazolo[1,5-a]pyrazine?
5-[4-(5,6-dimethylpyridazin-3-yl)piperazin-1-yl]-2-methyl-[1,2,4]triazolo[1,5-a]pyrazine has a molecular weight of 324.39 g/mol, XLogP of 1.17, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(5,6-dimethylpyridazin-3-yl)piperazin-1-yl]-2-methyl-[1,2,4]triazolo[1,5-a]pyrazine is sourced from PubChem (CID 129007502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).