4-(2-amino-5-chloro-4-ethoxyphenyl)-1H-tetrazol-5-one;formic acid

C10H12ClN5O4 — CID 137256034

IUPAC4-(2-amino-5-chloro-4-ethoxyphenyl)-1H-tetrazol-5-one;formic acid
SMILESCCOc1cc(N)c(-n2nn[nH]c2=O)cc1Cl.O=CO
InChIInChI=1S/C9H10ClN5O2.CH2O2/c1-2-17-8-4-6(11)7(3-5(8)10)15-9(16)12-13-14-15;2-1-3/h3-4H,2,11H2,1H3,(H,12,14,16);1H,(H,2,3)
InChIKeyATIIFIQFMIFMSF-UHFFFAOYSA-N
MW301.69 g/mol
LogP0.29
Rot. Bonds3

About 4-(2-amino-5-chloro-4-ethoxyphenyl)-1H-tetrazol-5-one;formic acid

4-(2-amino-5-chloro-4-ethoxyphenyl)-1H-tetrazol-5-one;formic acid (PubChem CID 137256034) has the molecular formula C10H12ClN5O4 and a molecular weight of 301.69 g/mol. Its IUPAC name is 4-(2-amino-5-chloro-4-ethoxyphenyl)-1H-tetrazol-5-one;formic acid.

Molecular Properties

Compound Name4-(2-amino-5-chloro-4-ethoxyphenyl)-1H-tetrazol-5-one;formic acid
PubChem CID137256034
Molecular FormulaC10H12ClN5O4
Molecular Weight301.69 g/mol
Exact Mass301.06
IUPAC Name4-(2-amino-5-chloro-4-ethoxyphenyl)-1H-tetrazol-5-one;formic acid
SMILESCCOc1cc(N)c(-n2nn[nH]c2=O)cc1Cl.O=CO
InChIInChI=1S/C9H10ClN5O2.CH2O2/c1-2-17-8-4-6(11)7(3-5(8)10)15-9(16)12-13-14-15;2-1-3/h3-4H,2,11H2,1H3,(H,12,14,16);1H,(H,2,3)
InChIKeyATIIFIQFMIFMSF-UHFFFAOYSA-N
XLogP0.29
TPSA136.12 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.69
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-(2-amino-5-chloro-4-ethoxyphenyl)-1H-tetrazol-5-one;formic acid 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 4-(2-amino-5-chloro-4-ethoxyphenyl)-1H-tetrazol-5-one;formic acid?
The IUPAC name of 4-(2-amino-5-chloro-4-ethoxyphenyl)-1H-tetrazol-5-one;formic acid (CID 137256034) is 4-(2-amino-5-chloro-4-ethoxyphenyl)-1H-tetrazol-5-one;formic acid.
What is the SMILES notation for 4-(2-amino-5-chloro-4-ethoxyphenyl)-1H-tetrazol-5-one;formic acid?
The canonical SMILES for 4-(2-amino-5-chloro-4-ethoxyphenyl)-1H-tetrazol-5-one;formic acid is CCOc1cc(N)c(-n2nn[nH]c2=O)cc1Cl.O=CO.
What is the InChIKey of 4-(2-amino-5-chloro-4-ethoxyphenyl)-1H-tetrazol-5-one;formic acid?
The InChIKey is ATIIFIQFMIFMSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN5O2.CH2O2/c1-2-17-8-4-6(11)7(3-5(8)10)15-9(16)12-13-14-15;2-1-3/h3-4H,2,11H2,1H3,(H,12,14,16);1H,(H,2,3).
What are the key properties of 4-(2-amino-5-chloro-4-ethoxyphenyl)-1H-tetrazol-5-one;formic acid?
4-(2-amino-5-chloro-4-ethoxyphenyl)-1H-tetrazol-5-one;formic acid has a molecular weight of 301.69 g/mol, XLogP of 0.29, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-5-chloro-4-ethoxyphenyl)-1H-tetrazol-5-one;formic acid is sourced from PubChem (CID 137256034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).