2,6-dipropyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazolo[1,5-b][1,2,4]triazole

C24H26N8 — CID 19002152

IUPAC2,6-dipropyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazolo[1,5-b][1,2,4]triazole
SMILESCCCc1cc2n(Cc3ccc(-c4ccccc4-c4nn[nH]n4)cc3)c(CCC)nn2n1
InChIInChI=1S/C24H26N8/c1-3-7-19-15-23-31(22(8-4-2)28-32(23)27-19)16-17-11-13-18(14-12-17)20-9-5-6-10-21(20)24-25-29-30-26-24/h5-6,9-15H,3-4,7-8,16H2,1-2H3,(H,25,26,29,30)
InChIKeyNYSAPBZPSWAMCA-UHFFFAOYSA-N
MW426.53 g/mol
LogP4.33
Rot. Bonds8

About 2,6-dipropyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazolo[1,5-b][1,2,4]triazole

2,6-dipropyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazolo[1,5-b][1,2,4]triazole (PubChem CID 19002152) has the molecular formula C24H26N8 and a molecular weight of 426.53 g/mol. Its IUPAC name is 2,6-dipropyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazolo[1,5-b][1,2,4]triazole.

Molecular Properties

Compound Name2,6-dipropyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazolo[1,5-b][1,2,4]triazole
PubChem CID19002152
Molecular FormulaC24H26N8
Molecular Weight426.53 g/mol
Exact Mass426.23
IUPAC Name2,6-dipropyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazolo[1,5-b][1,2,4]triazole
SMILESCCCc1cc2n(Cc3ccc(-c4ccccc4-c4nn[nH]n4)cc3)c(CCC)nn2n1
InChIInChI=1S/C24H26N8/c1-3-7-19-15-23-31(22(8-4-2)28-32(23)27-19)16-17-11-13-18(14-12-17)20-9-5-6-10-21(20)24-25-29-30-26-24/h5-6,9-15H,3-4,7-8,16H2,1-2H3,(H,25,26,29,30)
InChIKeyNYSAPBZPSWAMCA-UHFFFAOYSA-N
XLogP4.33
TPSA89.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.53
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-[2-[4-[(3-propan-2-yl-5-propyl-1,2,4-triazol-1-yl)methyl]phenyl]phenyl]-2H-tetrazole
CID 19903677
2-hexyl-5-propyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazol-3-one
CID 70201968
2-but-3-enyl-5-propyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazol-3-one
CID 70201808
2-ethyl-6-propyl-1-[[4-[2-(1-trityltetrazol-5-yl)phenyl]phenyl]methyl]pyrazolo[1,5-b][1,2,4]triazole
CID 19002213
2-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridine
CID 22418019
7-(4-methylphenyl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridine
CID 154422744
5-[2-[4-[(3-tert-butyl-5-propyl-1,2,4-triazol-1-yl)methyl]phenyl]phenyl]-2H-tetrazole
CID 19903434
2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid
CID 10834137
2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]quinazolin-4-one
CID 19087824
5-[2-[4-[(2-butyl-4,5-dichloroimidazol-1-yl)methyl]phenyl]phenyl]-2H-tetrazole
CID 46781136
2-[5-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazol-3-yl]ethanethial
CID 19903802
2-heptyl-5-hexyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazol-3-one
CID 70199735

Frequently Asked Questions

What is the IUPAC name of 2,6-dipropyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazolo[1,5-b][1,2,4]triazole?
The IUPAC name of 2,6-dipropyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazolo[1,5-b][1,2,4]triazole (CID 19002152) is 2,6-dipropyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazolo[1,5-b][1,2,4]triazole.
What is the SMILES notation for 2,6-dipropyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazolo[1,5-b][1,2,4]triazole?
The canonical SMILES for 2,6-dipropyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazolo[1,5-b][1,2,4]triazole is CCCc1cc2n(Cc3ccc(-c4ccccc4-c4nn[nH]n4)cc3)c(CCC)nn2n1.
What is the InChIKey of 2,6-dipropyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazolo[1,5-b][1,2,4]triazole?
The InChIKey is NYSAPBZPSWAMCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N8/c1-3-7-19-15-23-31(22(8-4-2)28-32(23)27-19)16-17-11-13-18(14-12-17)20-9-5-6-10-21(20)24-25-29-30-26-24/h5-6,9-15H,3-4,7-8,16H2,1-2H3,(H,25,26,29,30).
What are the key properties of 2,6-dipropyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazolo[1,5-b][1,2,4]triazole?
2,6-dipropyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazolo[1,5-b][1,2,4]triazole has a molecular weight of 426.53 g/mol, XLogP of 4.33, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dipropyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazolo[1,5-b][1,2,4]triazole is sourced from PubChem (CID 19002152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).