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

C19H31N7 — CID 53202344

IUPAC5-methyl-7-piperidin-1-yl-2-[(4-propylpiperazin-1-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCCCN1CCN(Cc2nc3nc(C)cc(N4CCCCC4)n3n2)CC1
InChIInChI=1S/C19H31N7/c1-3-7-23-10-12-24(13-11-23)15-17-21-19-20-16(2)14-18(26(19)22-17)25-8-5-4-6-9-25/h14H,3-13,15H2,1-2H3
InChIKeyCSACQAPVRSDIBK-UHFFFAOYSA-N
MW357.51 g/mol
LogP1.95
Rot. Bonds5

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

5-methyl-7-piperidin-1-yl-2-[(4-propylpiperazin-1-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 53202344) has the molecular formula C19H31N7 and a molecular weight of 357.51 g/mol. Its IUPAC name is 5-methyl-7-piperidin-1-yl-2-[(4-propylpiperazin-1-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-methyl-7-piperidin-1-yl-2-[(4-propylpiperazin-1-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID53202344
Molecular FormulaC19H31N7
Molecular Weight357.51 g/mol
Exact Mass357.26
IUPAC Name5-methyl-7-piperidin-1-yl-2-[(4-propylpiperazin-1-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCCCN1CCN(Cc2nc3nc(C)cc(N4CCCCC4)n3n2)CC1
InChIInChI=1S/C19H31N7/c1-3-7-23-10-12-24(13-11-23)15-17-21-19-20-16(2)14-18(26(19)22-17)25-8-5-4-6-9-25/h14H,3-13,15H2,1-2H3
InChIKeyCSACQAPVRSDIBK-UHFFFAOYSA-N
XLogP1.95
TPSA52.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.51
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-methyl-7-piperidin-1-yl-2-[(4-propylpiperazin-1-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine with MolForge

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Related Compounds

2-[(4-butylpiperazin-1-yl)methyl]-5-methyl-7-piperidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 53202353
4-[5-methyl-2-[(4-propylpiperazin-1-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine
CID 53202358
7-(azepan-1-yl)-5-methyl-2-[[4-(2-methylpropyl)piperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 53202439
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
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
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
2-(4-chlorophenyl)-7-(4-ethylpiperazin-1-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 23608478
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 5-methyl-7-piperidin-1-yl-2-[(4-propylpiperazin-1-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 5-methyl-7-piperidin-1-yl-2-[(4-propylpiperazin-1-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine (CID 53202344) is 5-methyl-7-piperidin-1-yl-2-[(4-propylpiperazin-1-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-methyl-7-piperidin-1-yl-2-[(4-propylpiperazin-1-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-methyl-7-piperidin-1-yl-2-[(4-propylpiperazin-1-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine is CCCN1CCN(Cc2nc3nc(C)cc(N4CCCCC4)n3n2)CC1.
What is the InChIKey of 5-methyl-7-piperidin-1-yl-2-[(4-propylpiperazin-1-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is CSACQAPVRSDIBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N7/c1-3-7-23-10-12-24(13-11-23)15-17-21-19-20-16(2)14-18(26(19)22-17)25-8-5-4-6-9-25/h14H,3-13,15H2,1-2H3.
What are the key properties of 5-methyl-7-piperidin-1-yl-2-[(4-propylpiperazin-1-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine?
5-methyl-7-piperidin-1-yl-2-[(4-propylpiperazin-1-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 357.51 g/mol, XLogP of 1.95, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-piperidin-1-yl-2-[(4-propylpiperazin-1-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 53202344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).