3-methyl-8-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine

C17H18N10 — CID 155942767

IUPAC3-methyl-8-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCc1nnc2c(N3CCN(c4ccc(-n5cccn5)nn4)CC3)nccn12
InChIInChI=1S/C17H18N10/c1-13-20-23-17-16(18-6-8-26(13)17)25-11-9-24(10-12-25)14-3-4-15(22-21-14)27-7-2-5-19-27/h2-8H,9-12H2,1H3
InChIKeyAJPGXBQOFILMRR-UHFFFAOYSA-N
MW362.40 g/mol
LogP0.74
Rot. Bonds3

About 3-methyl-8-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine

3-methyl-8-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 155942767) has the molecular formula C17H18N10 and a molecular weight of 362.40 g/mol. Its IUPAC name is 3-methyl-8-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name3-methyl-8-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID155942767
Molecular FormulaC17H18N10
Molecular Weight362.40 g/mol
Exact Mass362.17
IUPAC Name3-methyl-8-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCc1nnc2c(N3CCN(c4ccc(-n5cccn5)nn4)CC3)nccn12
InChIInChI=1S/C17H18N10/c1-13-20-23-17-16(18-6-8-26(13)17)25-11-9-24(10-12-25)14-3-4-15(22-21-14)27-7-2-5-19-27/h2-8H,9-12H2,1H3
InChIKeyAJPGXBQOFILMRR-UHFFFAOYSA-N
XLogP0.74
TPSA93.16 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.40
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Related Compounds

3-methyl-8-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine
CID 166605614
(5-methylthiophen-2-yl)-[4-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]methanone
CID 91818629
8-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-methyl-[1,2,4]triazolo[4,3-a]pyrazine
CID 115314782
(3-methylthiophen-2-yl)-[4-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]methanone
CID 91818642
2-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-3,4-dihydro-1H-isoquinolin-8-amine
CID 114524399
2-[4-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 56806210
3-methyl-8-[3-(trifluoromethyl)azetidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine
CID 165432242
5-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine
CID 155942753
(Z)-1-[4-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]-3-pyridin-3-ylprop-2-en-1-one
CID 91818614
[5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]methanone
CID 91818598
N-benzyl-N-methyl-1-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-amine
CID 167971004
[4-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 91818651

Frequently Asked Questions

What is the IUPAC name of 3-methyl-8-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 3-methyl-8-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine (CID 155942767) is 3-methyl-8-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 3-methyl-8-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 3-methyl-8-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine is Cc1nnc2c(N3CCN(c4ccc(-n5cccn5)nn4)CC3)nccn12.
What is the InChIKey of 3-methyl-8-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is AJPGXBQOFILMRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N10/c1-13-20-23-17-16(18-6-8-26(13)17)25-11-9-24(10-12-25)14-3-4-15(22-21-14)27-7-2-5-19-27/h2-8H,9-12H2,1H3.
What are the key properties of 3-methyl-8-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine?
3-methyl-8-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 362.40 g/mol, XLogP of 0.74, 3 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-8-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 155942767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).