2-methyl-6-propyl-5,7-bis[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazolo[1,5-b][1,2,4]triazole

C36H32N12 — CID 19002227

IUPAC2-methyl-6-propyl-5,7-bis[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazolo[1,5-b][1,2,4]triazole
SMILESCCCc1c(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c2nc(C)nn2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C36H32N12/c1-3-8-33-32(21-24-13-17-26(18-14-24)28-9-4-6-11-30(28)34-38-43-44-39-34)36-37-23(2)42-48(36)47(33)22-25-15-19-27(20-16-25)29-10-5-7-12-31(29)35-40-45-46-41-35/h4-7,9-20H,3,8,21-22H2,1-2H3,(H,38,39,43,44)(H,40,41,45,46)
InChIKeyPIDPVITWYWGUMK-UHFFFAOYSA-N
MW632.74 g/mol
LogP6.13
Rot. Bonds10

About 2-methyl-6-propyl-5,7-bis[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazolo[1,5-b][1,2,4]triazole

2-methyl-6-propyl-5,7-bis[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazolo[1,5-b][1,2,4]triazole (PubChem CID 19002227) has the molecular formula C36H32N12 and a molecular weight of 632.74 g/mol. Its IUPAC name is 2-methyl-6-propyl-5,7-bis[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazolo[1,5-b][1,2,4]triazole.

Molecular Properties

Compound Name2-methyl-6-propyl-5,7-bis[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazolo[1,5-b][1,2,4]triazole
PubChem CID19002227
Molecular FormulaC36H32N12
Molecular Weight632.74 g/mol
Exact Mass632.29
IUPAC Name2-methyl-6-propyl-5,7-bis[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazolo[1,5-b][1,2,4]triazole
SMILESCCCc1c(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c2nc(C)nn2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C36H32N12/c1-3-8-33-32(21-24-13-17-26(18-14-24)28-9-4-6-11-30(28)34-38-43-44-39-34)36-37-23(2)42-48(36)47(33)22-25-15-19-27(20-16-25)29-10-5-7-12-31(29)35-40-45-46-41-35/h4-7,9-20H,3,8,21-22H2,1-2H3,(H,38,39,43,44)(H,40,41,45,46)
InChIKeyPIDPVITWYWGUMK-UHFFFAOYSA-N
XLogP6.13
TPSA144.04 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.74
LogP ≤ 56.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

2,6-dimethyl-7-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-5H-pyrazolo[1,5-b][1,2,4]triazole
CID 19002129
2-methyl-4-propyl-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1H-pyrimidin-6-one
CID 135525308
[5-methyl-7-propyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methanol
CID 10388529
6-ethyl-2-propyl-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazolo[1,5-b][1,2,4]triazole
CID 10693016
5-propyl-6-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2,8-dihydro-[1,2,4]triazolo[4,3-a]pyrimidine-3,7-dione
CID 135744239
2-butyl-5,7-dimethyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazolo[1,5-a]pyrimidine
CID 139626462
5-[2-[4-[(3-tert-butyl-5-propyl-1,2,4-triazol-1-yl)methyl]phenyl]phenyl]-2H-tetrazole
CID 19903434
5-[2-[4-[(5-pentyl-3-propyl-1,2,4-triazol-1-yl)methyl]phenyl]phenyl]-2H-tetrazole
CID 19903551
5-[2-[4-[(3-propan-2-yl-5-propyl-1,2,4-triazol-1-yl)methyl]phenyl]phenyl]-2H-tetrazole
CID 19903677
2-ethyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1H-1,2,4-triazole-5-thione
CID 19882498
2-ethyl-6-methyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazolo[3,4-b]pyridin-3-one
CID 24827899
7-(4-methylphenyl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridine
CID 154422744

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-propyl-5,7-bis[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazolo[1,5-b][1,2,4]triazole?
The IUPAC name of 2-methyl-6-propyl-5,7-bis[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazolo[1,5-b][1,2,4]triazole (CID 19002227) is 2-methyl-6-propyl-5,7-bis[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazolo[1,5-b][1,2,4]triazole.
What is the SMILES notation for 2-methyl-6-propyl-5,7-bis[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazolo[1,5-b][1,2,4]triazole?
The canonical SMILES for 2-methyl-6-propyl-5,7-bis[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazolo[1,5-b][1,2,4]triazole is CCCc1c(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c2nc(C)nn2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1.
What is the InChIKey of 2-methyl-6-propyl-5,7-bis[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazolo[1,5-b][1,2,4]triazole?
The InChIKey is PIDPVITWYWGUMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H32N12/c1-3-8-33-32(21-24-13-17-26(18-14-24)28-9-4-6-11-30(28)34-38-43-44-39-34)36-37-23(2)42-48(36)47(33)22-25-15-19-27(20-16-25)29-10-5-7-12-31(29)35-40-45-46-41-35/h4-7,9-20H,3,8,21-22H2,1-2H3,(H,38,39,43,44)(H,40,41,45,46).
What are the key properties of 2-methyl-6-propyl-5,7-bis[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazolo[1,5-b][1,2,4]triazole?
2-methyl-6-propyl-5,7-bis[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazolo[1,5-b][1,2,4]triazole has a molecular weight of 632.74 g/mol, XLogP of 6.13, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-propyl-5,7-bis[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazolo[1,5-b][1,2,4]triazole is sourced from PubChem (CID 19002227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).