4-[(1-phenyltetrazol-5-yl)amino]benzoic acid

C14H11N5O2 — CID 43172025

IUPAC4-[(1-phenyltetrazol-5-yl)amino]benzoic acid
SMILESO=C(O)c1ccc(Nc2nnnn2-c2ccccc2)cc1
InChIInChI=1S/C14H11N5O2/c20-13(21)10-6-8-11(9-7-10)15-14-16-17-18-19(14)12-4-2-1-3-5-12/h1-9H,(H,20,21)(H,15,16,18)
InChIKeyKNOATXIRNKJBFE-UHFFFAOYSA-N
MW281.28 g/mol
LogP2.10
Rot. Bonds4

About 4-[(1-phenyltetrazol-5-yl)amino]benzoic acid

4-[(1-phenyltetrazol-5-yl)amino]benzoic acid (PubChem CID 43172025) has the molecular formula C14H11N5O2 and a molecular weight of 281.28 g/mol. Its IUPAC name is 4-[(1-phenyltetrazol-5-yl)amino]benzoic acid.

Molecular Properties

Compound Name4-[(1-phenyltetrazol-5-yl)amino]benzoic acid
PubChem CID43172025
Molecular FormulaC14H11N5O2
Molecular Weight281.28 g/mol
Exact Mass281.09
IUPAC Name4-[(1-phenyltetrazol-5-yl)amino]benzoic acid
SMILESO=C(O)c1ccc(Nc2nnnn2-c2ccccc2)cc1
InChIInChI=1S/C14H11N5O2/c20-13(21)10-6-8-11(9-7-10)15-14-16-17-18-19(14)12-4-2-1-3-5-12/h1-9H,(H,20,21)(H,15,16,18)
InChIKeyKNOATXIRNKJBFE-UHFFFAOYSA-N
XLogP2.10
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-phenyl-2-(1-phenyltetrazol-5-yl)hydrazine
CID 134909651
2,3-dimethyl-3-[(1-phenyltetrazol-5-yl)amino]butan-2-ol
CID 106186033
2-(hydroxymethyl)-2-[(1-phenyltetrazol-5-yl)amino]propane-1,3-diol
CID 107849570
ethyl 3-[4-[(1-phenyltetrazol-5-yl)amino]pyrazol-1-yl]benzoate
CID 117076249
2-[[(1-phenyltetrazol-5-yl)amino]methyl]pentanoic acid
CID 65224474
methyl 3-[(1-phenyltetrazol-5-yl)amino]propanoate
CID 60631997
3-[(1-methyltetrazol-5-yl)amino]benzoic acid
CID 63151983
2-[(1-phenyltetrazol-5-yl)amino]butan-1-ol
CID 43388771
(4-phenylphenyl)-(1-phenyltetrazol-5-yl)methanone
CID 134836100
2-[1-[(1-phenyltetrazol-5-yl)amino]cyclopentyl]acetic acid
CID 64700964
3-methoxy-2-[(1-phenyltetrazol-5-yl)amino]propanoic acid
CID 81077703
1-(3,4-dichlorophenyl)-3-[2-[(1-phenyltetrazol-5-yl)amino]ethyl]urea
CID 78896471

Frequently Asked Questions

What is the IUPAC name of 4-[(1-phenyltetrazol-5-yl)amino]benzoic acid?
The IUPAC name of 4-[(1-phenyltetrazol-5-yl)amino]benzoic acid (CID 43172025) is 4-[(1-phenyltetrazol-5-yl)amino]benzoic acid.
What is the SMILES notation for 4-[(1-phenyltetrazol-5-yl)amino]benzoic acid?
The canonical SMILES for 4-[(1-phenyltetrazol-5-yl)amino]benzoic acid is O=C(O)c1ccc(Nc2nnnn2-c2ccccc2)cc1.
What is the InChIKey of 4-[(1-phenyltetrazol-5-yl)amino]benzoic acid?
The InChIKey is KNOATXIRNKJBFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5O2/c20-13(21)10-6-8-11(9-7-10)15-14-16-17-18-19(14)12-4-2-1-3-5-12/h1-9H,(H,20,21)(H,15,16,18).
What are the key properties of 4-[(1-phenyltetrazol-5-yl)amino]benzoic acid?
4-[(1-phenyltetrazol-5-yl)amino]benzoic acid has a molecular weight of 281.28 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-phenyltetrazol-5-yl)amino]benzoic acid is sourced from PubChem (CID 43172025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).