3-cyclobutyl-5-piperazin-1-yl-1,2,4-triazine

C11H17N5 — CID 116824028

IUPAC3-cyclobutyl-5-piperazin-1-yl-1,2,4-triazine
SMILESc1nnc(C2CCC2)nc1N1CCNCC1
InChIInChI=1S/C11H17N5/c1-2-9(3-1)11-14-10(8-13-15-11)16-6-4-12-5-7-16/h8-9,12H,1-7H2
InChIKeyZMIKRDDVVDPIQL-UHFFFAOYSA-N
MW219.29 g/mol
LogP0.55
Rot. Bonds2

About 3-cyclobutyl-5-piperazin-1-yl-1,2,4-triazine

3-cyclobutyl-5-piperazin-1-yl-1,2,4-triazine (PubChem CID 116824028) has the molecular formula C11H17N5 and a molecular weight of 219.29 g/mol. Its IUPAC name is 3-cyclobutyl-5-piperazin-1-yl-1,2,4-triazine.

Molecular Properties

Compound Name3-cyclobutyl-5-piperazin-1-yl-1,2,4-triazine
PubChem CID116824028
Molecular FormulaC11H17N5
Molecular Weight219.29 g/mol
Exact Mass219.15
IUPAC Name3-cyclobutyl-5-piperazin-1-yl-1,2,4-triazine
SMILESc1nnc(C2CCC2)nc1N1CCNCC1
InChIInChI=1S/C11H17N5/c1-2-9(3-1)11-14-10(8-13-15-11)16-6-4-12-5-7-16/h8-9,12H,1-7H2
InChIKeyZMIKRDDVVDPIQL-UHFFFAOYSA-N
XLogP0.55
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-5-piperazin-1-yl-1,2,4-triazine?
The IUPAC name of 3-cyclobutyl-5-piperazin-1-yl-1,2,4-triazine (CID 116824028) is 3-cyclobutyl-5-piperazin-1-yl-1,2,4-triazine.
What is the SMILES notation for 3-cyclobutyl-5-piperazin-1-yl-1,2,4-triazine?
The canonical SMILES for 3-cyclobutyl-5-piperazin-1-yl-1,2,4-triazine is c1nnc(C2CCC2)nc1N1CCNCC1.
What is the InChIKey of 3-cyclobutyl-5-piperazin-1-yl-1,2,4-triazine?
The InChIKey is ZMIKRDDVVDPIQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5/c1-2-9(3-1)11-14-10(8-13-15-11)16-6-4-12-5-7-16/h8-9,12H,1-7H2.
What are the key properties of 3-cyclobutyl-5-piperazin-1-yl-1,2,4-triazine?
3-cyclobutyl-5-piperazin-1-yl-1,2,4-triazine has a molecular weight of 219.29 g/mol, XLogP of 0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-5-piperazin-1-yl-1,2,4-triazine is sourced from PubChem (CID 116824028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).