2-methyl-4-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]pyrazolo[1,5-a]pyrazine

C15H20N8 — CID 127922251

IUPAC2-methyl-4-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]pyrazolo[1,5-a]pyrazine
SMILESCc1cc2c(N3CCN(Cc4n[nH]c(C)n4)CC3)nccn2n1
InChIInChI=1S/C15H20N8/c1-11-9-13-15(16-3-4-23(13)20-11)22-7-5-21(6-8-22)10-14-17-12(2)18-19-14/h3-4,9H,5-8,10H2,1-2H3,(H,17,18,19)
InChIKeySENMHFFIGHUPRQ-UHFFFAOYSA-N
MW312.38 g/mol
LogP0.79
Rot. Bonds3

About 2-methyl-4-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]pyrazolo[1,5-a]pyrazine

2-methyl-4-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]pyrazolo[1,5-a]pyrazine (PubChem CID 127922251) has the molecular formula C15H20N8 and a molecular weight of 312.38 g/mol. Its IUPAC name is 2-methyl-4-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]pyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name2-methyl-4-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]pyrazolo[1,5-a]pyrazine
PubChem CID127922251
Molecular FormulaC15H20N8
Molecular Weight312.38 g/mol
Exact Mass312.18
IUPAC Name2-methyl-4-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]pyrazolo[1,5-a]pyrazine
SMILESCc1cc2c(N3CCN(Cc4n[nH]c(C)n4)CC3)nccn2n1
InChIInChI=1S/C15H20N8/c1-11-9-13-15(16-3-4-23(13)20-11)22-7-5-21(6-8-22)10-14-17-12(2)18-19-14/h3-4,9H,5-8,10H2,1-2H3,(H,17,18,19)
InChIKeySENMHFFIGHUPRQ-UHFFFAOYSA-N
XLogP0.79
TPSA78.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]pyrazolo[1,5-a]pyrazine?
The IUPAC name of 2-methyl-4-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]pyrazolo[1,5-a]pyrazine (CID 127922251) is 2-methyl-4-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]pyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 2-methyl-4-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]pyrazolo[1,5-a]pyrazine?
The canonical SMILES for 2-methyl-4-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]pyrazolo[1,5-a]pyrazine is Cc1cc2c(N3CCN(Cc4n[nH]c(C)n4)CC3)nccn2n1.
What is the InChIKey of 2-methyl-4-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]pyrazolo[1,5-a]pyrazine?
The InChIKey is SENMHFFIGHUPRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N8/c1-11-9-13-15(16-3-4-23(13)20-11)22-7-5-21(6-8-22)10-14-17-12(2)18-19-14/h3-4,9H,5-8,10H2,1-2H3,(H,17,18,19).
What are the key properties of 2-methyl-4-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]pyrazolo[1,5-a]pyrazine?
2-methyl-4-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]pyrazolo[1,5-a]pyrazine has a molecular weight of 312.38 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]pyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 127922251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).