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

C16H22N8 — CID 129002804

IUPAC5-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-2-methyl-[1,2,4]triazolo[1,5-a]pyrazine
SMILESCc1nc2cncc(N3CCN(Cc4cnn(C)c4C)CC3)n2n1
InChIInChI=1S/C16H22N8/c1-12-14(8-18-21(12)3)11-22-4-6-23(7-5-22)16-10-17-9-15-19-13(2)20-24(15)16/h8-10H,4-7,11H2,1-3H3
InChIKeyDBBNSXHPKDRQID-UHFFFAOYSA-N
MW326.41 g/mol
LogP0.80
Rot. Bonds3

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

5-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-2-methyl-[1,2,4]triazolo[1,5-a]pyrazine (PubChem CID 129002804) has the molecular formula C16H22N8 and a molecular weight of 326.41 g/mol. Its IUPAC name is 5-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-2-methyl-[1,2,4]triazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name5-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-2-methyl-[1,2,4]triazolo[1,5-a]pyrazine
PubChem CID129002804
Molecular FormulaC16H22N8
Molecular Weight326.41 g/mol
Exact Mass326.20
IUPAC Name5-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-2-methyl-[1,2,4]triazolo[1,5-a]pyrazine
SMILESCc1nc2cncc(N3CCN(Cc4cnn(C)c4C)CC3)n2n1
InChIInChI=1S/C16H22N8/c1-12-14(8-18-21(12)3)11-22-4-6-23(7-5-22)16-10-17-9-15-19-13(2)20-24(15)16/h8-10H,4-7,11H2,1-3H3
InChIKeyDBBNSXHPKDRQID-UHFFFAOYSA-N
XLogP0.80
TPSA67.38 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.41
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-2-methyl-[1,2,4]triazolo[1,5-a]pyrazine?
The IUPAC name of 5-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-2-methyl-[1,2,4]triazolo[1,5-a]pyrazine (CID 129002804) is 5-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-2-methyl-[1,2,4]triazolo[1,5-a]pyrazine.
What is the SMILES notation for 5-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-2-methyl-[1,2,4]triazolo[1,5-a]pyrazine?
The canonical SMILES for 5-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-2-methyl-[1,2,4]triazolo[1,5-a]pyrazine is Cc1nc2cncc(N3CCN(Cc4cnn(C)c4C)CC3)n2n1.
What is the InChIKey of 5-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-2-methyl-[1,2,4]triazolo[1,5-a]pyrazine?
The InChIKey is DBBNSXHPKDRQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N8/c1-12-14(8-18-21(12)3)11-22-4-6-23(7-5-22)16-10-17-9-15-19-13(2)20-24(15)16/h8-10H,4-7,11H2,1-3H3.
What are the key properties of 5-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-2-methyl-[1,2,4]triazolo[1,5-a]pyrazine?
5-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-2-methyl-[1,2,4]triazolo[1,5-a]pyrazine has a molecular weight of 326.41 g/mol, XLogP of 0.80, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-2-methyl-[1,2,4]triazolo[1,5-a]pyrazine is sourced from PubChem (CID 129002804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).