5-methyl-7-propyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]pyrimidine

C24H21F3N8 — CID 10005278

IUPAC5-methyl-7-propyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]pyrimidine
SMILESCCCc1nc(C)n2nc(C(F)(F)F)nc2c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C24H21F3N8/c1-3-6-20-19(22-29-23(24(25,26)27)32-35(22)14(2)28-20)13-15-9-11-16(12-10-15)17-7-4-5-8-18(17)21-30-33-34-31-21/h4-5,7-12H,3,6,13H2,1-2H3,(H,30,31,33,34)
InChIKeyOXDGCNCMFZILFE-UHFFFAOYSA-N
MW478.48 g/mol
LogP4.84
Rot. Bonds6

About 5-methyl-7-propyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]pyrimidine

5-methyl-7-propyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]pyrimidine (PubChem CID 10005278) has the molecular formula C24H21F3N8 and a molecular weight of 478.48 g/mol. Its IUPAC name is 5-methyl-7-propyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]pyrimidine.

Molecular Properties

Compound Name5-methyl-7-propyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]pyrimidine
PubChem CID10005278
Molecular FormulaC24H21F3N8
Molecular Weight478.48 g/mol
Exact Mass478.18
IUPAC Name5-methyl-7-propyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]pyrimidine
SMILESCCCc1nc(C)n2nc(C(F)(F)F)nc2c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C24H21F3N8/c1-3-6-20-19(22-29-23(24(25,26)27)32-35(22)14(2)28-20)13-15-9-11-16(12-10-15)17-7-4-5-8-18(17)21-30-33-34-31-21/h4-5,7-12H,3,6,13H2,1-2H3,(H,30,31,33,34)
InChIKeyOXDGCNCMFZILFE-UHFFFAOYSA-N
XLogP4.84
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.48
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-7-propyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]pyrimidine?
The IUPAC name of 5-methyl-7-propyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]pyrimidine (CID 10005278) is 5-methyl-7-propyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]pyrimidine.
What is the SMILES notation for 5-methyl-7-propyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]pyrimidine?
The canonical SMILES for 5-methyl-7-propyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]pyrimidine is CCCc1nc(C)n2nc(C(F)(F)F)nc2c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1.
What is the InChIKey of 5-methyl-7-propyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]pyrimidine?
The InChIKey is OXDGCNCMFZILFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N8/c1-3-6-20-19(22-29-23(24(25,26)27)32-35(22)14(2)28-20)13-15-9-11-16(12-10-15)17-7-4-5-8-18(17)21-30-33-34-31-21/h4-5,7-12H,3,6,13H2,1-2H3,(H,30,31,33,34).
What are the key properties of 5-methyl-7-propyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]pyrimidine?
5-methyl-7-propyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]pyrimidine has a molecular weight of 478.48 g/mol, XLogP of 4.84, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-propyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]pyrimidine is sourced from PubChem (CID 10005278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).