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

C19H24N6 — CID 46094621

IUPAC5-ethyl-7-[4-(1-phenylethyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCCc1cc(N2CCN(C(C)c3ccccc3)CC2)n2ncnc2n1
InChIInChI=1S/C19H24N6/c1-3-17-13-18(25-19(22-17)20-14-21-25)24-11-9-23(10-12-24)15(2)16-7-5-4-6-8-16/h4-8,13-15H,3,9-12H2,1-2H3
InChIKeySNWKECJOIBPHOP-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.57
Rot. Bonds4

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

5-ethyl-7-[4-(1-phenylethyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 46094621) has the molecular formula C19H24N6 and a molecular weight of 336.44 g/mol. Its IUPAC name is 5-ethyl-7-[4-(1-phenylethyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-ethyl-7-[4-(1-phenylethyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID46094621
Molecular FormulaC19H24N6
Molecular Weight336.44 g/mol
Exact Mass336.21
IUPAC Name5-ethyl-7-[4-(1-phenylethyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCCc1cc(N2CCN(C(C)c3ccccc3)CC2)n2ncnc2n1
InChIInChI=1S/C19H24N6/c1-3-17-13-18(25-19(22-17)20-14-21-25)24-11-9-23(10-12-24)15(2)16-7-5-4-6-8-16/h4-8,13-15H,3,9-12H2,1-2H3
InChIKeySNWKECJOIBPHOP-UHFFFAOYSA-N
XLogP2.57
TPSA49.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

5-ethyl-7-[4-(4-fluorophenyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 50820542
5-[4-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]pyridin-2-amine
CID 133304100
7-[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 46096770
5-methyl-7-[4-[(2-methylphenyl)-phenylmethyl]piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 91956587
7-[4-[1-(3-methoxyphenyl)ethyl]piperazin-1-yl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 133299614
5-ethyl-7-[4-(2-iodophenoxy)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 133337359
N-(4-chlorophenyl)-2-[4-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]acetamide
CID 133418014
2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]propan-1-amine
CID 63338782
6-(4-methoxyphenyl)-7-[4-(1-phenylethyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 46097569
ethyl 1-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-4-carboxylate
CID 46094525
5-ethyl-7-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 133422121
1-[(1S)-1-phenylethyl]-4-[(1R)-1-phenylethyl]piperazine
CID 3246046

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-7-[4-(1-phenylethyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 5-ethyl-7-[4-(1-phenylethyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine (CID 46094621) is 5-ethyl-7-[4-(1-phenylethyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-ethyl-7-[4-(1-phenylethyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-ethyl-7-[4-(1-phenylethyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine is CCc1cc(N2CCN(C(C)c3ccccc3)CC2)n2ncnc2n1.
What is the InChIKey of 5-ethyl-7-[4-(1-phenylethyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is SNWKECJOIBPHOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6/c1-3-17-13-18(25-19(22-17)20-14-21-25)24-11-9-23(10-12-24)15(2)16-7-5-4-6-8-16/h4-8,13-15H,3,9-12H2,1-2H3.
What are the key properties of 5-ethyl-7-[4-(1-phenylethyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine?
5-ethyl-7-[4-(1-phenylethyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 336.44 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-7-[4-(1-phenylethyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 46094621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).