3-[butyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyrazine-2-carboxylic acid

C23H23N7O2 — CID 15657929

IUPAC3-[butyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyrazine-2-carboxylic acid
SMILESCCCCN(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)c1nccnc1C(=O)O
InChIInChI=1S/C23H23N7O2/c1-2-3-14-30(22-20(23(31)32)24-12-13-25-22)15-16-8-10-17(11-9-16)18-6-4-5-7-19(18)21-26-28-29-27-21/h4-13H,2-3,14-15H2,1H3,(H,31,32)(H,26,27,28,29)
InChIKeyZJAVHMSXOMUSMC-UHFFFAOYSA-N
MW429.48 g/mol
LogP3.83
Rot. Bonds9

About 3-[butyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyrazine-2-carboxylic acid

3-[butyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyrazine-2-carboxylic acid (PubChem CID 15657929) has the molecular formula C23H23N7O2 and a molecular weight of 429.48 g/mol. Its IUPAC name is 3-[butyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-[butyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyrazine-2-carboxylic acid
PubChem CID15657929
Molecular FormulaC23H23N7O2
Molecular Weight429.48 g/mol
Exact Mass429.19
IUPAC Name3-[butyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyrazine-2-carboxylic acid
SMILESCCCCN(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)c1nccnc1C(=O)O
InChIInChI=1S/C23H23N7O2/c1-2-3-14-30(22-20(23(31)32)24-12-13-25-22)15-16-8-10-17(11-9-16)18-6-4-5-7-19(18)21-26-28-29-27-21/h4-13H,2-3,14-15H2,1H3,(H,31,32)(H,26,27,28,29)
InChIKeyZJAVHMSXOMUSMC-UHFFFAOYSA-N
XLogP3.83
TPSA120.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

Losartan carboxylic acid
CID 108185
4-(Butyl((2'-(2H-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methyl)amino)-5-pyrimidinecarboxylic acid
CID 192314
CI-996
CID 9828975
Dmp 811
CID 3081289
2-Methyl-4-{propyl-[2''-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-amino}-pyrimidine-5-carboxylic acid
CID 10432780
5-(2,5-dimethylpyrrol-1-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid
CID 14962857
5-(2-methyl-5-propylpyrrol-1-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid
CID 14962859
5-(2,5-dichloropyrrol-1-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid
CID 14962879
4-(Propyl{[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl}amino)pyrimidine-5-carboxylic acid
CID 15657904
5-[butyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-3-(2-methylpropyl)triazole-4-carboxylic acid
CID 19017678
4-[butyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyrimidine-5-carboxylic acid;hydrochloride
CID 52949117
Dehydro Olmesartan
CID 9888820

Frequently Asked Questions

What is the IUPAC name of 3-[butyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyrazine-2-carboxylic acid?
The IUPAC name of 3-[butyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyrazine-2-carboxylic acid (CID 15657929) is 3-[butyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-[butyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyrazine-2-carboxylic acid?
The canonical SMILES for 3-[butyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyrazine-2-carboxylic acid is CCCCN(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)c1nccnc1C(=O)O.
What is the InChIKey of 3-[butyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyrazine-2-carboxylic acid?
The InChIKey is ZJAVHMSXOMUSMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7O2/c1-2-3-14-30(22-20(23(31)32)24-12-13-25-22)15-16-8-10-17(11-9-16)18-6-4-5-7-19(18)21-26-28-29-27-21/h4-13H,2-3,14-15H2,1H3,(H,31,32)(H,26,27,28,29).
What are the key properties of 3-[butyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyrazine-2-carboxylic acid?
3-[butyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyrazine-2-carboxylic acid has a molecular weight of 429.48 g/mol, XLogP of 3.83, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[butyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 15657929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).