2-[(4-butylpiperazin-1-yl)methyl]-5-methyl-7-piperidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine

C20H33N7 — CID 53202353

IUPAC2-[(4-butylpiperazin-1-yl)methyl]-5-methyl-7-piperidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCCCCN1CCN(Cc2nc3nc(C)cc(N4CCCCC4)n3n2)CC1
InChIInChI=1S/C20H33N7/c1-3-4-8-24-11-13-25(14-12-24)16-18-22-20-21-17(2)15-19(27(20)23-18)26-9-6-5-7-10-26/h15H,3-14,16H2,1-2H3
InChIKeyARODEZSOMSWLDY-UHFFFAOYSA-N
MW371.53 g/mol
LogP2.34
Rot. Bonds6

About 2-[(4-butylpiperazin-1-yl)methyl]-5-methyl-7-piperidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine

2-[(4-butylpiperazin-1-yl)methyl]-5-methyl-7-piperidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 53202353) has the molecular formula C20H33N7 and a molecular weight of 371.53 g/mol. Its IUPAC name is 2-[(4-butylpiperazin-1-yl)methyl]-5-methyl-7-piperidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-[(4-butylpiperazin-1-yl)methyl]-5-methyl-7-piperidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID53202353
Molecular FormulaC20H33N7
Molecular Weight371.53 g/mol
Exact Mass371.28
IUPAC Name2-[(4-butylpiperazin-1-yl)methyl]-5-methyl-7-piperidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCCCCN1CCN(Cc2nc3nc(C)cc(N4CCCCC4)n3n2)CC1
InChIInChI=1S/C20H33N7/c1-3-4-8-24-11-13-25(14-12-24)16-18-22-20-21-17(2)15-19(27(20)23-18)26-9-6-5-7-10-26/h15H,3-14,16H2,1-2H3
InChIKeyARODEZSOMSWLDY-UHFFFAOYSA-N
XLogP2.34
TPSA52.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[(4-butylpiperazin-1-yl)methyl]-5-methyl-7-piperidin-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

5-methyl-7-piperidin-1-yl-2-[(4-propylpiperazin-1-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 53202344
7-(azepan-1-yl)-5-methyl-2-[[4-(2-methylpropyl)piperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 53202439
4-[5-methyl-2-[(4-propylpiperazin-1-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine
CID 53202358
2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-methyl-7-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 53202333
5-methyl-2-[(4-methylpiperazin-1-yl)methyl]-7-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 53202378
7-(4-ethylpiperazin-1-yl)-5-methyl-2-[(4-propan-2-ylpiperazin-1-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 53202423
7-(4-ethylpiperazin-1-yl)-5-methyl-2-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 53202426
4-[5-methyl-2-[[4-(2-methylpropyl)piperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine
CID 53202376
N-methyl-N-[[5-methyl-7-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methyl]butan-1-amine
CID 53202401
ethyl 1-[[7-(4-ethylpiperazin-1-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methyl]piperidine-3-carboxylate
CID 53202420
3-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1,4-diazepan-1-yl]propan-1-amine
CID 43517160
5,7-dimethyl-2-(piperazin-1-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine;trihydrochloride
CID 132899139

Frequently Asked Questions

What is the IUPAC name of 2-[(4-butylpiperazin-1-yl)methyl]-5-methyl-7-piperidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 2-[(4-butylpiperazin-1-yl)methyl]-5-methyl-7-piperidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 53202353) is 2-[(4-butylpiperazin-1-yl)methyl]-5-methyl-7-piperidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-[(4-butylpiperazin-1-yl)methyl]-5-methyl-7-piperidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-[(4-butylpiperazin-1-yl)methyl]-5-methyl-7-piperidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine is CCCCN1CCN(Cc2nc3nc(C)cc(N4CCCCC4)n3n2)CC1.
What is the InChIKey of 2-[(4-butylpiperazin-1-yl)methyl]-5-methyl-7-piperidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is ARODEZSOMSWLDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N7/c1-3-4-8-24-11-13-25(14-12-24)16-18-22-20-21-17(2)15-19(27(20)23-18)26-9-6-5-7-10-26/h15H,3-14,16H2,1-2H3.
What are the key properties of 2-[(4-butylpiperazin-1-yl)methyl]-5-methyl-7-piperidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
2-[(4-butylpiperazin-1-yl)methyl]-5-methyl-7-piperidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 371.53 g/mol, XLogP of 2.34, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-butylpiperazin-1-yl)methyl]-5-methyl-7-piperidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 53202353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).