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

C19H25N9 — CID 166605614

IUPAC3-methyl-8-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCc1nnc2c(N3CCN(c4ccc(N5CCCCC5)nn4)CC3)nccn12
InChIInChI=1S/C19H25N9/c1-15-21-24-19-18(20-7-10-28(15)19)27-13-11-26(12-14-27)17-6-5-16(22-23-17)25-8-3-2-4-9-25/h5-7,10H,2-4,8-9,11-14H2,1H3
InChIKeyIFNPVWHYXQQBGA-UHFFFAOYSA-N
MW379.47 g/mol
LogP1.54
Rot. Bonds3

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

3-methyl-8-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 166605614) has the molecular formula C19H25N9 and a molecular weight of 379.47 g/mol. Its IUPAC name is 3-methyl-8-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name3-methyl-8-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID166605614
Molecular FormulaC19H25N9
Molecular Weight379.47 g/mol
Exact Mass379.22
IUPAC Name3-methyl-8-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCc1nnc2c(N3CCN(c4ccc(N5CCCCC5)nn4)CC3)nccn12
InChIInChI=1S/C19H25N9/c1-15-21-24-19-18(20-7-10-28(15)19)27-13-11-26(12-14-27)17-6-5-16(22-23-17)25-8-3-2-4-9-25/h5-7,10H,2-4,8-9,11-14H2,1H3
InChIKeyIFNPVWHYXQQBGA-UHFFFAOYSA-N
XLogP1.54
TPSA78.58 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.47
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-8-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 3-methyl-8-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine (CID 166605614) is 3-methyl-8-[4-(6-piperidin-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-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 3-methyl-8-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine is Cc1nnc2c(N3CCN(c4ccc(N5CCCCC5)nn4)CC3)nccn12.
What is the InChIKey of 3-methyl-8-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is IFNPVWHYXQQBGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N9/c1-15-21-24-19-18(20-7-10-28(15)19)27-13-11-26(12-14-27)17-6-5-16(22-23-17)25-8-3-2-4-9-25/h5-7,10H,2-4,8-9,11-14H2,1H3.
What are the key properties of 3-methyl-8-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine?
3-methyl-8-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 379.47 g/mol, XLogP of 1.54, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-8-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 166605614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).