7-[4-(2,5-difluorophenyl)piperazin-1-yl]-3-methyltriazolo[4,5-d]pyrimidine

C15H15F2N7 — CID 136552984

IUPAC7-[4-(2,5-difluorophenyl)piperazin-1-yl]-3-methyltriazolo[4,5-d]pyrimidine
SMILESCn1nnc2c(N3CCN(c4cc(F)ccc4F)CC3)ncnc21
InChIInChI=1S/C15H15F2N7/c1-22-14-13(20-21-22)15(19-9-18-14)24-6-4-23(5-7-24)12-8-10(16)2-3-11(12)17/h2-3,8-9H,4-7H2,1H3
InChIKeyAMVZFSWYXSEENR-UHFFFAOYSA-N
MW331.33 g/mol
LogP1.36
Rot. Bonds2

About 7-[4-(2,5-difluorophenyl)piperazin-1-yl]-3-methyltriazolo[4,5-d]pyrimidine

7-[4-(2,5-difluorophenyl)piperazin-1-yl]-3-methyltriazolo[4,5-d]pyrimidine (PubChem CID 136552984) has the molecular formula C15H15F2N7 and a molecular weight of 331.33 g/mol. Its IUPAC name is 7-[4-(2,5-difluorophenyl)piperazin-1-yl]-3-methyltriazolo[4,5-d]pyrimidine.

Molecular Properties

Compound Name7-[4-(2,5-difluorophenyl)piperazin-1-yl]-3-methyltriazolo[4,5-d]pyrimidine
PubChem CID136552984
Molecular FormulaC15H15F2N7
Molecular Weight331.33 g/mol
Exact Mass331.14
IUPAC Name7-[4-(2,5-difluorophenyl)piperazin-1-yl]-3-methyltriazolo[4,5-d]pyrimidine
SMILESCn1nnc2c(N3CCN(c4cc(F)ccc4F)CC3)ncnc21
InChIInChI=1S/C15H15F2N7/c1-22-14-13(20-21-22)15(19-9-18-14)24-6-4-23(5-7-24)12-8-10(16)2-3-11(12)17/h2-3,8-9H,4-7H2,1H3
InChIKeyAMVZFSWYXSEENR-UHFFFAOYSA-N
XLogP1.36
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.33
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-methyl-7-(4-methylpiperazin-1-yl)triazolo[4,5-d]pyrimidine
CID 7424099
4-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)piperazine-1-carbaldehyde
CID 7424110
3-methyl-7-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]triazolo[4,5-d]pyrimidine
CID 7192825
1-(2,5-difluorophenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine
CID 123351984
N-(3,4-difluorophenyl)-1-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)azetidine-3-carboxamide
CID 90557548
4-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine
CID 47053328
[4-(2-chlorophenyl)piperazin-1-yl]-[1-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)azetidin-3-yl]methanone
CID 90557457
[4-(2-methoxyphenyl)piperazin-1-yl]-[1-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)azetidin-3-yl]methanone
CID 90557462
1-(2,5-difluorophenyl)piperidine
CID 22638080
4-(2,5-difluorophenyl)-N'-methyl-N-[2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]piperazine-1-carboximidamide;hydroiodide
CID 109451580
3-methyl-7-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]triazolo[4,5-d]pyrimidine
CID 167852100
4-chloro-5-[4-(2,5-difluorophenyl)piperazin-1-yl]-2-methylpyridazin-3-one
CID 71861488

Frequently Asked Questions

What is the IUPAC name of 7-[4-(2,5-difluorophenyl)piperazin-1-yl]-3-methyltriazolo[4,5-d]pyrimidine?
The IUPAC name of 7-[4-(2,5-difluorophenyl)piperazin-1-yl]-3-methyltriazolo[4,5-d]pyrimidine (CID 136552984) is 7-[4-(2,5-difluorophenyl)piperazin-1-yl]-3-methyltriazolo[4,5-d]pyrimidine.
What is the SMILES notation for 7-[4-(2,5-difluorophenyl)piperazin-1-yl]-3-methyltriazolo[4,5-d]pyrimidine?
The canonical SMILES for 7-[4-(2,5-difluorophenyl)piperazin-1-yl]-3-methyltriazolo[4,5-d]pyrimidine is Cn1nnc2c(N3CCN(c4cc(F)ccc4F)CC3)ncnc21.
What is the InChIKey of 7-[4-(2,5-difluorophenyl)piperazin-1-yl]-3-methyltriazolo[4,5-d]pyrimidine?
The InChIKey is AMVZFSWYXSEENR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N7/c1-22-14-13(20-21-22)15(19-9-18-14)24-6-4-23(5-7-24)12-8-10(16)2-3-11(12)17/h2-3,8-9H,4-7H2,1H3.
What are the key properties of 7-[4-(2,5-difluorophenyl)piperazin-1-yl]-3-methyltriazolo[4,5-d]pyrimidine?
7-[4-(2,5-difluorophenyl)piperazin-1-yl]-3-methyltriazolo[4,5-d]pyrimidine has a molecular weight of 331.33 g/mol, XLogP of 1.36, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(2,5-difluorophenyl)piperazin-1-yl]-3-methyltriazolo[4,5-d]pyrimidine is sourced from PubChem (CID 136552984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).