7-(4-cyclohexylpiperazin-1-yl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine

C17H26N6 — CID 5308814

IUPAC7-(4-cyclohexylpiperazin-1-yl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(N2CCN(C3CCCCC3)CC2)n2nc(C)nc2n1
InChIInChI=1S/C17H26N6/c1-13-12-16(23-17(18-13)19-14(2)20-23)22-10-8-21(9-11-22)15-6-4-3-5-7-15/h12,15H,3-11H2,1-2H3
InChIKeyNLBFOTVMWLBIDC-UHFFFAOYSA-N
MW314.44 g/mol
LogP2.20
Rot. Bonds2

About 7-(4-cyclohexylpiperazin-1-yl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine

7-(4-cyclohexylpiperazin-1-yl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 5308814) has the molecular formula C17H26N6 and a molecular weight of 314.44 g/mol. Its IUPAC name is 7-(4-cyclohexylpiperazin-1-yl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(4-cyclohexylpiperazin-1-yl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID5308814
Molecular FormulaC17H26N6
Molecular Weight314.44 g/mol
Exact Mass314.22
IUPAC Name7-(4-cyclohexylpiperazin-1-yl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(N2CCN(C3CCCCC3)CC2)n2nc(C)nc2n1
InChIInChI=1S/C17H26N6/c1-13-12-16(23-17(18-13)19-14(2)20-23)22-10-8-21(9-11-22)15-6-4-3-5-7-15/h12,15H,3-11H2,1-2H3
InChIKeyNLBFOTVMWLBIDC-UHFFFAOYSA-N
XLogP2.20
TPSA49.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.44
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(4-cyclohexylpiperazin-1-yl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(4-cyclohexylpiperazin-1-yl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 5308814) is 7-(4-cyclohexylpiperazin-1-yl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(4-cyclohexylpiperazin-1-yl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(4-cyclohexylpiperazin-1-yl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1cc(N2CCN(C3CCCCC3)CC2)n2nc(C)nc2n1.
What is the InChIKey of 7-(4-cyclohexylpiperazin-1-yl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is NLBFOTVMWLBIDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6/c1-13-12-16(23-17(18-13)19-14(2)20-23)22-10-8-21(9-11-22)15-6-4-3-5-7-15/h12,15H,3-11H2,1-2H3.
What are the key properties of 7-(4-cyclohexylpiperazin-1-yl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine?
7-(4-cyclohexylpiperazin-1-yl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 314.44 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-cyclohexylpiperazin-1-yl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 5308814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).