2-(1-benzhydryltetrazol-5-yl)acetic acid

C16H14N4O2 — CID 84758807

IUPAC2-(1-benzhydryltetrazol-5-yl)acetic acid
SMILESO=C(O)Cc1nnnn1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H14N4O2/c21-15(22)11-14-17-18-19-20(14)16(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,16H,11H2,(H,21,22)
InChIKeyQETMTPQVYMAYQG-UHFFFAOYSA-N
MW294.31 g/mol
LogP1.94
Rot. Bonds5

About 2-(1-benzhydryltetrazol-5-yl)acetic acid

2-(1-benzhydryltetrazol-5-yl)acetic acid (PubChem CID 84758807) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is 2-(1-benzhydryltetrazol-5-yl)acetic acid.

Molecular Properties

Compound Name2-(1-benzhydryltetrazol-5-yl)acetic acid
PubChem CID84758807
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC Name2-(1-benzhydryltetrazol-5-yl)acetic acid
SMILESO=C(O)Cc1nnnn1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H14N4O2/c21-15(22)11-14-17-18-19-20(14)16(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,16H,11H2,(H,21,22)
InChIKeyQETMTPQVYMAYQG-UHFFFAOYSA-N
XLogP1.94
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(1-benzhydryltetrazol-5-yl)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-benzhydryl-5-(1-chloroethyl)tetrazole
CID 103084363
3-[5-(2,2-diphenylethyl)tetrazol-1-yl]propanoic acid
CID 94970264
[(S)-(1-benzhydryltetrazol-5-yl)-phenylmethyl]-dimethylazanium
CID 7154844
2-[1-(trifluoromethyl)tetrazol-5-yl]acetic acid
CID 112712964
2-(1-tert-butyltetrazol-5-yl)acetic acid
CID 83876391
3-[5-(2-phenoxyethyl)tetrazol-1-yl]butanoic acid
CID 66043635
2-[5-[(2-methoxyphenyl)methyl]tetrazol-1-yl]propanoic acid
CID 66042380
2-[1-[2-(1,3-dioxoisoindol-2-yl)oxyethyl]tetrazol-5-yl]acetic acid
CID 129117351
2-[1-[(3-fluorophenyl)methyl]tetrazol-5-yl]acetic acid
CID 84758809
2-[1-(1-phenylpropan-2-yl)tetrazol-5-yl]sulfanylacetic acid
CID 55150309
3-[1-(1-phenylethyl)tetrazol-5-yl]propan-1-amine
CID 82228413
2-[2-[(1-methyltetrazol-5-yl)sulfanylmethyl]phenyl]acetic acid
CID 115460822

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzhydryltetrazol-5-yl)acetic acid?
The IUPAC name of 2-(1-benzhydryltetrazol-5-yl)acetic acid (CID 84758807) is 2-(1-benzhydryltetrazol-5-yl)acetic acid.
What is the SMILES notation for 2-(1-benzhydryltetrazol-5-yl)acetic acid?
The canonical SMILES for 2-(1-benzhydryltetrazol-5-yl)acetic acid is O=C(O)Cc1nnnn1C(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(1-benzhydryltetrazol-5-yl)acetic acid?
The InChIKey is QETMTPQVYMAYQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2/c21-15(22)11-14-17-18-19-20(14)16(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,16H,11H2,(H,21,22).
What are the key properties of 2-(1-benzhydryltetrazol-5-yl)acetic acid?
2-(1-benzhydryltetrazol-5-yl)acetic acid has a molecular weight of 294.31 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzhydryltetrazol-5-yl)acetic acid is sourced from PubChem (CID 84758807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).