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

C20H18N8 — CID 19002129

IUPAC2,6-dimethyl-7-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-5H-pyrazolo[1,5-b][1,2,4]triazole
SMILESCc1nc2c(Cc3ccc(-c4ccccc4-c4nn[nH]n4)cc3)c(C)[nH]n2n1
InChIInChI=1S/C20H18N8/c1-12-18(20-21-13(2)25-28(20)24-12)11-14-7-9-15(10-8-14)16-5-3-4-6-17(16)19-22-26-27-23-19/h3-10,24H,11H2,1-2H3,(H,22,23,26,27)
InChIKeyGHRMMTHHKVTICF-UHFFFAOYSA-N
MW370.42 g/mol
LogP3.11
Rot. Bonds4

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

2,6-dimethyl-7-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-5H-pyrazolo[1,5-b][1,2,4]triazole (PubChem CID 19002129) has the molecular formula C20H18N8 and a molecular weight of 370.42 g/mol. Its IUPAC name is 2,6-dimethyl-7-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-5H-pyrazolo[1,5-b][1,2,4]triazole.

Molecular Properties

Compound Name2,6-dimethyl-7-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-5H-pyrazolo[1,5-b][1,2,4]triazole
PubChem CID19002129
Molecular FormulaC20H18N8
Molecular Weight370.42 g/mol
Exact Mass370.17
IUPAC Name2,6-dimethyl-7-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-5H-pyrazolo[1,5-b][1,2,4]triazole
SMILESCc1nc2c(Cc3ccc(-c4ccccc4-c4nn[nH]n4)cc3)c(C)[nH]n2n1
InChIInChI=1S/C20H18N8/c1-12-18(20-21-13(2)25-28(20)24-12)11-14-7-9-15(10-8-14)16-5-3-4-6-17(16)19-22-26-27-23-19/h3-10,24H,11H2,1-2H3,(H,22,23,26,27)
InChIKeyGHRMMTHHKVTICF-UHFFFAOYSA-N
XLogP3.11
TPSA100.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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
2-methyl-4-propyl-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1H-pyrimidin-6-one
CID 135525308
2-butyl-5,7-dimethyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazolo[1,5-a]pyrimidine
CID 139626462
[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
4-butyl-2-methyl-6-methylsulfonyl-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrimidine
CID 154148882
2-ethyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1H-1,2,4-triazole-5-thione
CID 19882498
5-[2-[4-[(2-tert-butyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]phenyl]phenyl]-2H-tetrazole
CID 19750219
N-[6-butyl-2-methyl-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrimidin-4-yl]acetamide
CID 154289946
7-butyl-N,N,5-trimethyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide
CID 139638314
5-[2-[4-[(2-but-2-ynyl-5-phenyl-1,2,4-triazol-3-yl)methyl]phenyl]phenyl]-2H-tetrazole
CID 19750469
1-propyl-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazole-3-carbothialdehyde
CID 19750419
5-[2-[4-[[3,5-di(propan-2-yloxy)-1,2,4-triazol-1-yl]methyl]phenyl]phenyl]-2H-tetrazole
CID 19903871

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-7-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-5H-pyrazolo[1,5-b][1,2,4]triazole?
The IUPAC name of 2,6-dimethyl-7-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-5H-pyrazolo[1,5-b][1,2,4]triazole (CID 19002129) is 2,6-dimethyl-7-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-5H-pyrazolo[1,5-b][1,2,4]triazole.
What is the SMILES notation for 2,6-dimethyl-7-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-5H-pyrazolo[1,5-b][1,2,4]triazole?
The canonical SMILES for 2,6-dimethyl-7-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-5H-pyrazolo[1,5-b][1,2,4]triazole is Cc1nc2c(Cc3ccc(-c4ccccc4-c4nn[nH]n4)cc3)c(C)[nH]n2n1.
What is the InChIKey of 2,6-dimethyl-7-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-5H-pyrazolo[1,5-b][1,2,4]triazole?
The InChIKey is GHRMMTHHKVTICF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N8/c1-12-18(20-21-13(2)25-28(20)24-12)11-14-7-9-15(10-8-14)16-5-3-4-6-17(16)19-22-26-27-23-19/h3-10,24H,11H2,1-2H3,(H,22,23,26,27).
What are the key properties of 2,6-dimethyl-7-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-5H-pyrazolo[1,5-b][1,2,4]triazole?
2,6-dimethyl-7-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-5H-pyrazolo[1,5-b][1,2,4]triazole has a molecular weight of 370.42 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-7-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-5H-pyrazolo[1,5-b][1,2,4]triazole is sourced from PubChem (CID 19002129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).