3-[4-(2H-tetrazol-5-yl)anilino]propane-1,2-diol

C10H13N5O2 — CID 168597238

IUPAC3-[4-(2H-tetrazol-5-yl)anilino]propane-1,2-diol
SMILESOCC(O)CNc1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C10H13N5O2/c16-6-9(17)5-11-8-3-1-7(2-4-8)10-12-14-15-13-10/h1-4,9,11,16-17H,5-6H2,(H,12,13,14,15)
InChIKeySVCSWMYQVGAFQV-UHFFFAOYSA-N
MW235.25 g/mol
LogP-0.37
Rot. Bonds5

About 3-[4-(2H-tetrazol-5-yl)anilino]propane-1,2-diol

3-[4-(2H-tetrazol-5-yl)anilino]propane-1,2-diol (PubChem CID 168597238) has the molecular formula C10H13N5O2 and a molecular weight of 235.25 g/mol. Its IUPAC name is 3-[4-(2H-tetrazol-5-yl)anilino]propane-1,2-diol.

Molecular Properties

Compound Name3-[4-(2H-tetrazol-5-yl)anilino]propane-1,2-diol
PubChem CID168597238
Molecular FormulaC10H13N5O2
Molecular Weight235.25 g/mol
Exact Mass235.11
IUPAC Name3-[4-(2H-tetrazol-5-yl)anilino]propane-1,2-diol
SMILESOCC(O)CNc1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C10H13N5O2/c16-6-9(17)5-11-8-3-1-7(2-4-8)10-12-14-15-13-10/h1-4,9,11,16-17H,5-6H2,(H,12,13,14,15)
InChIKeySVCSWMYQVGAFQV-UHFFFAOYSA-N
XLogP-0.37
TPSA106.95 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 5-0.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 3-[4-(2H-tetrazol-5-yl)anilino]propane-1,2-diol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2H-tetrazol-5-yl)anilino]propane-1,2-diol?
The IUPAC name of 3-[4-(2H-tetrazol-5-yl)anilino]propane-1,2-diol (CID 168597238) is 3-[4-(2H-tetrazol-5-yl)anilino]propane-1,2-diol.
What is the SMILES notation for 3-[4-(2H-tetrazol-5-yl)anilino]propane-1,2-diol?
The canonical SMILES for 3-[4-(2H-tetrazol-5-yl)anilino]propane-1,2-diol is OCC(O)CNc1ccc(-c2nn[nH]n2)cc1.
What is the InChIKey of 3-[4-(2H-tetrazol-5-yl)anilino]propane-1,2-diol?
The InChIKey is SVCSWMYQVGAFQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2/c16-6-9(17)5-11-8-3-1-7(2-4-8)10-12-14-15-13-10/h1-4,9,11,16-17H,5-6H2,(H,12,13,14,15).
What are the key properties of 3-[4-(2H-tetrazol-5-yl)anilino]propane-1,2-diol?
3-[4-(2H-tetrazol-5-yl)anilino]propane-1,2-diol has a molecular weight of 235.25 g/mol, XLogP of -0.37, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2H-tetrazol-5-yl)anilino]propane-1,2-diol is sourced from PubChem (CID 168597238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).