methyl 2-(5-propyltetrazol-2-yl)acetate

C7H12N4O2 — CID 89359073

IUPACmethyl 2-(5-propyltetrazol-2-yl)acetate
SMILESCCCc1nnn(CC(=O)OC)n1
InChIInChI=1S/C7H12N4O2/c1-3-4-6-8-10-11(9-6)5-7(12)13-2/h3-5H2,1-2H3
InChIKeyXRARRFHGRNMQPD-UHFFFAOYSA-N
MW184.20 g/mol
LogP-0.20
Rot. Bonds4

About methyl 2-(5-propyltetrazol-2-yl)acetate

methyl 2-(5-propyltetrazol-2-yl)acetate (PubChem CID 89359073) has the molecular formula C7H12N4O2 and a molecular weight of 184.20 g/mol. Its IUPAC name is methyl 2-(5-propyltetrazol-2-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(5-propyltetrazol-2-yl)acetate
PubChem CID89359073
Molecular FormulaC7H12N4O2
Molecular Weight184.20 g/mol
Exact Mass184.10
IUPAC Namemethyl 2-(5-propyltetrazol-2-yl)acetate
SMILESCCCc1nnn(CC(=O)OC)n1
InChIInChI=1S/C7H12N4O2/c1-3-4-6-8-10-11(9-6)5-7(12)13-2/h3-5H2,1-2H3
InChIKeyXRARRFHGRNMQPD-UHFFFAOYSA-N
XLogP-0.20
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 5-0.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 2-(5-propyltetrazol-2-yl)acetate 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 methyl 2-(5-propyltetrazol-2-yl)acetate?
The IUPAC name of methyl 2-(5-propyltetrazol-2-yl)acetate (CID 89359073) is methyl 2-(5-propyltetrazol-2-yl)acetate.
What is the SMILES notation for methyl 2-(5-propyltetrazol-2-yl)acetate?
The canonical SMILES for methyl 2-(5-propyltetrazol-2-yl)acetate is CCCc1nnn(CC(=O)OC)n1.
What is the InChIKey of methyl 2-(5-propyltetrazol-2-yl)acetate?
The InChIKey is XRARRFHGRNMQPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O2/c1-3-4-6-8-10-11(9-6)5-7(12)13-2/h3-5H2,1-2H3.
What are the key properties of methyl 2-(5-propyltetrazol-2-yl)acetate?
methyl 2-(5-propyltetrazol-2-yl)acetate has a molecular weight of 184.20 g/mol, XLogP of -0.20, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-propyltetrazol-2-yl)acetate is sourced from PubChem (CID 89359073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).