2-butyl-5-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[1,2-b][1,2,4]triazole

C23H24N8 — CID 10001717

IUPAC2-butyl-5-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[1,2-b][1,2,4]triazole
SMILESCCCCc1nn2cc(C)nc2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C23H24N8/c1-3-4-9-21-27-31-14-16(2)24-23(31)30(21)15-17-10-12-18(13-11-17)19-7-5-6-8-20(19)22-25-28-29-26-22/h5-8,10-14H,3-4,9,15H2,1-2H3,(H,25,26,28,29)
InChIKeyFHPQSHYLWNFCCO-UHFFFAOYSA-N
MW412.50 g/mol
LogP4.08
Rot. Bonds7

About 2-butyl-5-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[1,2-b][1,2,4]triazole

2-butyl-5-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[1,2-b][1,2,4]triazole (PubChem CID 10001717) has the molecular formula C23H24N8 and a molecular weight of 412.50 g/mol. Its IUPAC name is 2-butyl-5-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[1,2-b][1,2,4]triazole.

Molecular Properties

Compound Name2-butyl-5-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[1,2-b][1,2,4]triazole
PubChem CID10001717
Molecular FormulaC23H24N8
Molecular Weight412.50 g/mol
Exact Mass412.21
IUPAC Name2-butyl-5-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[1,2-b][1,2,4]triazole
SMILESCCCCc1nn2cc(C)nc2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C23H24N8/c1-3-4-9-21-27-31-14-16(2)24-23(31)30(21)15-17-10-12-18(13-11-17)19-7-5-6-8-20(19)22-25-28-29-26-22/h5-8,10-14H,3-4,9,15H2,1-2H3,(H,25,26,28,29)
InChIKeyFHPQSHYLWNFCCO-UHFFFAOYSA-N
XLogP4.08
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 ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-5-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[1,2-b][1,2,4]triazole?
The IUPAC name of 2-butyl-5-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[1,2-b][1,2,4]triazole (CID 10001717) is 2-butyl-5-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[1,2-b][1,2,4]triazole.
What is the SMILES notation for 2-butyl-5-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[1,2-b][1,2,4]triazole?
The canonical SMILES for 2-butyl-5-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[1,2-b][1,2,4]triazole is CCCCc1nn2cc(C)nc2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1.
What is the InChIKey of 2-butyl-5-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[1,2-b][1,2,4]triazole?
The InChIKey is FHPQSHYLWNFCCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N8/c1-3-4-9-21-27-31-14-16(2)24-23(31)30(21)15-17-10-12-18(13-11-17)19-7-5-6-8-20(19)22-25-28-29-26-22/h5-8,10-14H,3-4,9,15H2,1-2H3,(H,25,26,28,29).
What are the key properties of 2-butyl-5-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[1,2-b][1,2,4]triazole?
2-butyl-5-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[1,2-b][1,2,4]triazole has a molecular weight of 412.50 g/mol, XLogP of 4.08, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-5-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[1,2-b][1,2,4]triazole is sourced from PubChem (CID 10001717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).