2-(furan-2-yl)-7-[4-(2-methoxyphenyl)piperazin-1-yl]-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidine

C23H26N6O2 — CID 50800082

IUPAC2-(furan-2-yl)-7-[4-(2-methoxyphenyl)piperazin-1-yl]-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCCCc1cc(N2CCN(c3ccccc3OC)CC2)n2nc(-c3ccco3)nc2n1
InChIInChI=1S/C23H26N6O2/c1-3-7-17-16-21(29-23(24-17)25-22(26-29)20-10-6-15-31-20)28-13-11-27(12-14-28)18-8-4-5-9-19(18)30-2/h4-6,8-10,15-16H,3,7,11-14H2,1-2H3
InChIKeyFIUQFTUENKVLPE-UHFFFAOYSA-N
MW418.50 g/mol
LogP3.67
Rot. Bonds6

About 2-(furan-2-yl)-7-[4-(2-methoxyphenyl)piperazin-1-yl]-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidine

2-(furan-2-yl)-7-[4-(2-methoxyphenyl)piperazin-1-yl]-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 50800082) has the molecular formula C23H26N6O2 and a molecular weight of 418.50 g/mol. Its IUPAC name is 2-(furan-2-yl)-7-[4-(2-methoxyphenyl)piperazin-1-yl]-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-(furan-2-yl)-7-[4-(2-methoxyphenyl)piperazin-1-yl]-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID50800082
Molecular FormulaC23H26N6O2
Molecular Weight418.50 g/mol
Exact Mass418.21
IUPAC Name2-(furan-2-yl)-7-[4-(2-methoxyphenyl)piperazin-1-yl]-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCCCc1cc(N2CCN(c3ccccc3OC)CC2)n2nc(-c3ccco3)nc2n1
InChIInChI=1S/C23H26N6O2/c1-3-7-17-16-21(29-23(24-17)25-22(26-29)20-10-6-15-31-20)28-13-11-27(12-14-28)18-8-4-5-9-19(18)30-2/h4-6,8-10,15-16H,3,7,11-14H2,1-2H3
InChIKeyFIUQFTUENKVLPE-UHFFFAOYSA-N
XLogP3.67
TPSA71.93 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

7-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-ethyl-2-(furan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 50800373
ethyl 1-[2-(furan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxylate
CID 20961762
6-ethyl-2-(furan-2-yl)-5-methyl-7-(4-phenylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 50800220
5-(3,4-dimethoxyphenyl)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
CID 18960655
2-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 133315722
1-(2-methoxyphenyl)-4-[2-(2H-triazol-4-yl)ethyl]piperazine;hydrochloride
CID 142648010
2-(furan-2-yl)-5,6-dimethyl-N-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 50800291
2-(furan-2-yl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 20961755
3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidin-4-yl]-4-methyl-7-pyridin-4-yl-[1,2,4]triazolo[5,1-c][1,2,4]triazine
CID 66499065
N-(2,5-dimethoxyphenyl)-2-(furan-2-yl)-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 50800345
[4-[[3-(furan-2-yl)-1,2,4-triazol-1-yl]sulfonyl]phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 166076100
(2R)-2-(furan-2-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanamine
CID 9161352

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-7-[4-(2-methoxyphenyl)piperazin-1-yl]-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 2-(furan-2-yl)-7-[4-(2-methoxyphenyl)piperazin-1-yl]-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 50800082) is 2-(furan-2-yl)-7-[4-(2-methoxyphenyl)piperazin-1-yl]-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-(furan-2-yl)-7-[4-(2-methoxyphenyl)piperazin-1-yl]-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-(furan-2-yl)-7-[4-(2-methoxyphenyl)piperazin-1-yl]-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidine is CCCc1cc(N2CCN(c3ccccc3OC)CC2)n2nc(-c3ccco3)nc2n1.
What is the InChIKey of 2-(furan-2-yl)-7-[4-(2-methoxyphenyl)piperazin-1-yl]-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is FIUQFTUENKVLPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O2/c1-3-7-17-16-21(29-23(24-17)25-22(26-29)20-10-6-15-31-20)28-13-11-27(12-14-28)18-8-4-5-9-19(18)30-2/h4-6,8-10,15-16H,3,7,11-14H2,1-2H3.
What are the key properties of 2-(furan-2-yl)-7-[4-(2-methoxyphenyl)piperazin-1-yl]-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidine?
2-(furan-2-yl)-7-[4-(2-methoxyphenyl)piperazin-1-yl]-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 418.50 g/mol, XLogP of 3.67, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-7-[4-(2-methoxyphenyl)piperazin-1-yl]-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 50800082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).