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

C23H24N8 — CID 10693016

IUPAC6-ethyl-2-propyl-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazolo[1,5-b][1,2,4]triazole
SMILESCCCc1nc2cc(CC)n(Cc3ccc(-c4ccccc4-c4nn[nH]n4)cc3)n2n1
InChIInChI=1S/C23H24N8/c1-3-7-21-24-22-14-18(4-2)30(31(22)27-21)15-16-10-12-17(13-11-16)19-8-5-6-9-20(19)23-25-28-29-26-23/h5-6,8-14H,3-4,7,15H2,1-2H3,(H,25,26,28,29)
InChIKeyNDPMNHITJVVKKD-UHFFFAOYSA-N
MW412.50 g/mol
LogP3.94
Rot. Bonds7

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

6-ethyl-2-propyl-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazolo[1,5-b][1,2,4]triazole (PubChem CID 10693016) has the molecular formula C23H24N8 and a molecular weight of 412.50 g/mol. Its IUPAC name is 6-ethyl-2-propyl-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazolo[1,5-b][1,2,4]triazole.

Molecular Properties

Compound Name6-ethyl-2-propyl-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazolo[1,5-b][1,2,4]triazole
PubChem CID10693016
Molecular FormulaC23H24N8
Molecular Weight412.50 g/mol
Exact Mass412.21
IUPAC Name6-ethyl-2-propyl-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazolo[1,5-b][1,2,4]triazole
SMILESCCCc1nc2cc(CC)n(Cc3ccc(-c4ccccc4-c4nn[nH]n4)cc3)n2n1
InChIInChI=1S/C23H24N8/c1-3-7-21-24-22-14-18(4-2)30(31(22)27-21)15-16-10-12-17(13-11-16)19-8-5-6-9-20(19)23-25-28-29-26-23/h5-6,8-14H,3-4,7,15H2,1-2H3,(H,25,26,28,29)
InChIKeyNDPMNHITJVVKKD-UHFFFAOYSA-N
XLogP3.94
TPSA89.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.50
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-[2-[4-[(5-pentyl-3-propyl-1,2,4-triazol-1-yl)methyl]phenyl]phenyl]-2H-tetrazole
CID 19903551
5-[2-[4-[(5-ethyl-3-pentyl-1,2,4-triazol-1-yl)methyl]phenyl]phenyl]-2H-tetrazole
CID 19903876
5-[2-[4-[(2-propyl-4-pyrrol-1-ylimidazol-1-yl)methyl]phenyl]phenyl]-2H-tetrazole
CID 14962848
5-[2-[4-[(3,5-dipentyl-1,2,4-triazol-1-yl)methyl]phenyl]phenyl]-2H-tetrazole
CID 19903608
5-[2-[4-[(3-tert-butyl-5-propyl-1,2,4-triazol-1-yl)methyl]phenyl]phenyl]-2H-tetrazole
CID 19903434
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
5-[2-[4-[(3-propan-2-yl-5-propyl-1,2,4-triazol-1-yl)methyl]phenyl]phenyl]-2H-tetrazole
CID 19903677
2-[5-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazol-3-yl]ethanethial
CID 19903802
[3-propan-2-yl-5-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrrol-2-yl]methanol
CID 67267171
2,6-dipropyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazolo[1,5-b][1,2,4]triazole
CID 19002152
5-[2-[4-[(5-butyl-3-methoxy-1,2,4-triazol-1-yl)methyl]phenyl]phenyl]-2H-tetrazole
CID 19903963
4-[5-butyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazol-3-yl]butan-1-amine
CID 10455383

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-propyl-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazolo[1,5-b][1,2,4]triazole?
The IUPAC name of 6-ethyl-2-propyl-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazolo[1,5-b][1,2,4]triazole (CID 10693016) is 6-ethyl-2-propyl-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazolo[1,5-b][1,2,4]triazole.
What is the SMILES notation for 6-ethyl-2-propyl-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazolo[1,5-b][1,2,4]triazole?
The canonical SMILES for 6-ethyl-2-propyl-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazolo[1,5-b][1,2,4]triazole is CCCc1nc2cc(CC)n(Cc3ccc(-c4ccccc4-c4nn[nH]n4)cc3)n2n1.
What is the InChIKey of 6-ethyl-2-propyl-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazolo[1,5-b][1,2,4]triazole?
The InChIKey is NDPMNHITJVVKKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N8/c1-3-7-21-24-22-14-18(4-2)30(31(22)27-21)15-16-10-12-17(13-11-16)19-8-5-6-9-20(19)23-25-28-29-26-23/h5-6,8-14H,3-4,7,15H2,1-2H3,(H,25,26,28,29).
What are the key properties of 6-ethyl-2-propyl-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazolo[1,5-b][1,2,4]triazole?
6-ethyl-2-propyl-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazolo[1,5-b][1,2,4]triazole has a molecular weight of 412.50 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-propyl-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazolo[1,5-b][1,2,4]triazole is sourced from PubChem (CID 10693016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).