2-cyclohexyl-5,7-di(piperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine

C19H30N8 — CID 139819312

IUPAC2-cyclohexyl-5,7-di(piperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESc1c(N2CCNCC2)nc2nc(C3CCCCC3)nn2c1N1CCNCC1
InChIInChI=1S/C19H30N8/c1-2-4-15(5-3-1)18-23-19-22-16(25-10-6-20-7-11-25)14-17(27(19)24-18)26-12-8-21-9-13-26/h14-15,20-21H,1-13H2
InChIKeyMKQBAEVOIQBYKE-UHFFFAOYSA-N
MW370.51 g/mol
LogP0.99
Rot. Bonds3

About 2-cyclohexyl-5,7-di(piperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine

2-cyclohexyl-5,7-di(piperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 139819312) has the molecular formula C19H30N8 and a molecular weight of 370.51 g/mol. Its IUPAC name is 2-cyclohexyl-5,7-di(piperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-cyclohexyl-5,7-di(piperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID139819312
Molecular FormulaC19H30N8
Molecular Weight370.51 g/mol
Exact Mass370.26
IUPAC Name2-cyclohexyl-5,7-di(piperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESc1c(N2CCNCC2)nc2nc(C3CCCCC3)nn2c1N1CCNCC1
InChIInChI=1S/C19H30N8/c1-2-4-15(5-3-1)18-23-19-22-16(25-10-6-20-7-11-25)14-17(27(19)24-18)26-12-8-21-9-13-26/h14-15,20-21H,1-13H2
InChIKeyMKQBAEVOIQBYKE-UHFFFAOYSA-N
XLogP0.99
TPSA73.62 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.51
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-cyclohexyl-5,7-di(piperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cyclohexyl-7-(3-methylpiperazin-1-yl)-5-phenylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 139819380
3-cyclobutyl-5-piperazin-1-yl-1,2,4-triazine
CID 116824028
(2-cyclopropyl-6-piperazin-1-ylpyrimidin-4-yl)hydrazine
CID 80968466
2-cyclopentyl-4,6-dimethyl-5-piperazin-1-ylpyrimidine
CID 117212544
2-tert-butyl-4-cyclobutyl-6-piperazin-1-ylpyrimidine
CID 66673390
2-cyclopropyl-4-(oxan-4-yl)-6-piperazin-1-ylpyrimidine
CID 163346691
N,N-diethyl-7-(3-methylpiperazin-1-yl)-2-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-amine;dihydrochloride
CID 139819340
4-cyclopentyl-2-cyclopropyl-5-piperazin-1-ylpyrimidine
CID 117211621
2-cyclobutyl-5-piperazin-1-ylpyrimidine
CID 117212418
6-piperazin-1-yl-2-piperidin-1-ylpyrimidin-4-amine
CID 67718296
2-cyclopentyl-4-(difluoromethyl)-6-piperazin-1-ylpyrazolo[3,4-b]pyridine
CID 25248612
2-(2-cyclohexyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(3,4-dimethylphenyl)acetamide
CID 50750150

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-5,7-di(piperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 2-cyclohexyl-5,7-di(piperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine (CID 139819312) is 2-cyclohexyl-5,7-di(piperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-cyclohexyl-5,7-di(piperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-cyclohexyl-5,7-di(piperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine is c1c(N2CCNCC2)nc2nc(C3CCCCC3)nn2c1N1CCNCC1.
What is the InChIKey of 2-cyclohexyl-5,7-di(piperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is MKQBAEVOIQBYKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N8/c1-2-4-15(5-3-1)18-23-19-22-16(25-10-6-20-7-11-25)14-17(27(19)24-18)26-12-8-21-9-13-26/h14-15,20-21H,1-13H2.
What are the key properties of 2-cyclohexyl-5,7-di(piperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine?
2-cyclohexyl-5,7-di(piperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 370.51 g/mol, XLogP of 0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-5,7-di(piperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 139819312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).