5-(3-methylbutyl)-8-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine

C15H24N6 — CID 53391187

IUPAC5-(3-methylbutyl)-8-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCC(C)CCc1cnc(N2CCN(C)CC2)c2nncn12
InChIInChI=1S/C15H24N6/c1-12(2)4-5-13-10-16-14(15-18-17-11-21(13)15)20-8-6-19(3)7-9-20/h10-12H,4-9H2,1-3H3
InChIKeyNNKLYALCUZGDKN-UHFFFAOYSA-N
MW288.40 g/mol
LogP1.46
Rot. Bonds4

About 5-(3-methylbutyl)-8-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine

5-(3-methylbutyl)-8-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 53391187) has the molecular formula C15H24N6 and a molecular weight of 288.40 g/mol. Its IUPAC name is 5-(3-methylbutyl)-8-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name5-(3-methylbutyl)-8-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID53391187
Molecular FormulaC15H24N6
Molecular Weight288.40 g/mol
Exact Mass288.21
IUPAC Name5-(3-methylbutyl)-8-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCC(C)CCc1cnc(N2CCN(C)CC2)c2nncn12
InChIInChI=1S/C15H24N6/c1-12(2)4-5-13-10-16-14(15-18-17-11-21(13)15)20-8-6-19(3)7-9-20/h10-12H,4-9H2,1-3H3
InChIKeyNNKLYALCUZGDKN-UHFFFAOYSA-N
XLogP1.46
TPSA49.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methylbutyl)-8-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 5-(3-methylbutyl)-8-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine (CID 53391187) is 5-(3-methylbutyl)-8-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 5-(3-methylbutyl)-8-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 5-(3-methylbutyl)-8-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine is CC(C)CCc1cnc(N2CCN(C)CC2)c2nncn12.
What is the InChIKey of 5-(3-methylbutyl)-8-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is NNKLYALCUZGDKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6/c1-12(2)4-5-13-10-16-14(15-18-17-11-21(13)15)20-8-6-19(3)7-9-20/h10-12H,4-9H2,1-3H3.
What are the key properties of 5-(3-methylbutyl)-8-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine?
5-(3-methylbutyl)-8-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 288.40 g/mol, XLogP of 1.46, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylbutyl)-8-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 53391187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).