2-amino-4-(2-propyltetrazol-5-yl)benzoic acid

C11H13N5O2 — CID 50849229

IUPAC2-amino-4-(2-propyltetrazol-5-yl)benzoic acid
SMILESCCCn1nnc(-c2ccc(C(=O)O)c(N)c2)n1
InChIInChI=1S/C11H13N5O2/c1-2-5-16-14-10(13-15-16)7-3-4-8(11(17)18)9(12)6-7/h3-4,6H,2,5,12H2,1H3,(H,17,18)
InChIKeyFYZNZUMGUDIQGC-UHFFFAOYSA-N
MW247.26 g/mol
LogP1.03
Rot. Bonds4

About 2-amino-4-(2-propyltetrazol-5-yl)benzoic acid

2-amino-4-(2-propyltetrazol-5-yl)benzoic acid (PubChem CID 50849229) has the molecular formula C11H13N5O2 and a molecular weight of 247.26 g/mol. Its IUPAC name is 2-amino-4-(2-propyltetrazol-5-yl)benzoic acid.

Molecular Properties

Compound Name2-amino-4-(2-propyltetrazol-5-yl)benzoic acid
PubChem CID50849229
Molecular FormulaC11H13N5O2
Molecular Weight247.26 g/mol
Exact Mass247.11
IUPAC Name2-amino-4-(2-propyltetrazol-5-yl)benzoic acid
SMILESCCCn1nnc(-c2ccc(C(=O)O)c(N)c2)n1
InChIInChI=1S/C11H13N5O2/c1-2-5-16-14-10(13-15-16)7-3-4-8(11(17)18)9(12)6-7/h3-4,6H,2,5,12H2,1H3,(H,17,18)
InChIKeyFYZNZUMGUDIQGC-UHFFFAOYSA-N
XLogP1.03
TPSA106.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2-propyltetrazol-5-yl)benzoic acid?
The IUPAC name of 2-amino-4-(2-propyltetrazol-5-yl)benzoic acid (CID 50849229) is 2-amino-4-(2-propyltetrazol-5-yl)benzoic acid.
What is the SMILES notation for 2-amino-4-(2-propyltetrazol-5-yl)benzoic acid?
The canonical SMILES for 2-amino-4-(2-propyltetrazol-5-yl)benzoic acid is CCCn1nnc(-c2ccc(C(=O)O)c(N)c2)n1.
What is the InChIKey of 2-amino-4-(2-propyltetrazol-5-yl)benzoic acid?
The InChIKey is FYZNZUMGUDIQGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2/c1-2-5-16-14-10(13-15-16)7-3-4-8(11(17)18)9(12)6-7/h3-4,6H,2,5,12H2,1H3,(H,17,18).
What are the key properties of 2-amino-4-(2-propyltetrazol-5-yl)benzoic acid?
2-amino-4-(2-propyltetrazol-5-yl)benzoic acid has a molecular weight of 247.26 g/mol, XLogP of 1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2-propyltetrazol-5-yl)benzoic acid is sourced from PubChem (CID 50849229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).