5-(3-chlorophenyl)-1-propan-2-yltetrazole

C10H11ClN4 — CID 1490173

IUPAC5-(3-chlorophenyl)-1-propan-2-yltetrazole
SMILESCC(C)n1nnnc1-c1cccc(Cl)c1
InChIInChI=1S/C10H11ClN4/c1-7(2)15-10(12-13-14-15)8-4-3-5-9(11)6-8/h3-7H,1-2H3
InChIKeyZKBCHMCTKBNZFO-UHFFFAOYSA-N
MW222.68 g/mol
LogP2.57
Rot. Bonds2

About 5-(3-chlorophenyl)-1-propan-2-yltetrazole

5-(3-chlorophenyl)-1-propan-2-yltetrazole (PubChem CID 1490173) has the molecular formula C10H11ClN4 and a molecular weight of 222.68 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-1-propan-2-yltetrazole.

Molecular Properties

Compound Name5-(3-chlorophenyl)-1-propan-2-yltetrazole
PubChem CID1490173
Molecular FormulaC10H11ClN4
Molecular Weight222.68 g/mol
Exact Mass222.07
IUPAC Name5-(3-chlorophenyl)-1-propan-2-yltetrazole
SMILESCC(C)n1nnnc1-c1cccc(Cl)c1
InChIInChI=1S/C10H11ClN4/c1-7(2)15-10(12-13-14-15)8-4-3-5-9(11)6-8/h3-7H,1-2H3
InChIKeyZKBCHMCTKBNZFO-UHFFFAOYSA-N
XLogP2.57
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.68
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-1-propan-2-yltetrazole?
The IUPAC name of 5-(3-chlorophenyl)-1-propan-2-yltetrazole (CID 1490173) is 5-(3-chlorophenyl)-1-propan-2-yltetrazole.
What is the SMILES notation for 5-(3-chlorophenyl)-1-propan-2-yltetrazole?
The canonical SMILES for 5-(3-chlorophenyl)-1-propan-2-yltetrazole is CC(C)n1nnnc1-c1cccc(Cl)c1.
What is the InChIKey of 5-(3-chlorophenyl)-1-propan-2-yltetrazole?
The InChIKey is ZKBCHMCTKBNZFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4/c1-7(2)15-10(12-13-14-15)8-4-3-5-9(11)6-8/h3-7H,1-2H3.
What are the key properties of 5-(3-chlorophenyl)-1-propan-2-yltetrazole?
5-(3-chlorophenyl)-1-propan-2-yltetrazole has a molecular weight of 222.68 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-1-propan-2-yltetrazole is sourced from PubChem (CID 1490173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).