tert-butyl 4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazine-1-carboxylate

C15H22N6O2 — CID 647029

IUPACtert-butyl 4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazine-1-carboxylate
SMILESCc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)n2ncnc2n1
InChIInChI=1S/C15H22N6O2/c1-11-9-12(21-13(18-11)16-10-17-21)19-5-7-20(8-6-19)14(22)23-15(2,3)4/h9-10H,5-8H2,1-4H3
InChIKeyOALZYTFSZKNYII-UHFFFAOYSA-N
MW318.38 g/mol
LogP1.49
Rot. Bonds1

About tert-butyl 4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazine-1-carboxylate

tert-butyl 4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazine-1-carboxylate (PubChem CID 647029) has the molecular formula C15H22N6O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is tert-butyl 4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazine-1-carboxylate
PubChem CID647029
Molecular FormulaC15H22N6O2
Molecular Weight318.38 g/mol
Exact Mass318.18
IUPAC Nametert-butyl 4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazine-1-carboxylate
SMILESCc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)n2ncnc2n1
InChIInChI=1S/C15H22N6O2/c1-11-9-12(21-13(18-11)16-10-17-21)19-5-7-20(8-6-19)14(22)23-15(2,3)4/h9-10H,5-8H2,1-4H3
InChIKeyOALZYTFSZKNYII-UHFFFAOYSA-N
XLogP1.49
TPSA75.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazine-1-carboxylate (CID 647029) is tert-butyl 4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazine-1-carboxylate is Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)n2ncnc2n1.
What is the InChIKey of tert-butyl 4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazine-1-carboxylate?
The InChIKey is OALZYTFSZKNYII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O2/c1-11-9-12(21-13(18-11)16-10-17-21)19-5-7-20(8-6-19)14(22)23-15(2,3)4/h9-10H,5-8H2,1-4H3.
What are the key properties of tert-butyl 4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazine-1-carboxylate?
tert-butyl 4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazine-1-carboxylate has a molecular weight of 318.38 g/mol, XLogP of 1.49, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazine-1-carboxylate is sourced from PubChem (CID 647029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).