5-(3-chlorophenyl)-1-propyltetrazole

C10H11ClN4 — CID 1490175

IUPAC5-(3-chlorophenyl)-1-propyltetrazole
SMILESCCCn1nnnc1-c1cccc(Cl)c1
InChIInChI=1S/C10H11ClN4/c1-2-6-15-10(12-13-14-15)8-4-3-5-9(11)7-8/h3-5,7H,2,6H2,1H3
InChIKeyOKIHZEJBYXVLFJ-UHFFFAOYSA-N
MW222.68 g/mol
LogP2.40
Rot. Bonds3

About 5-(3-chlorophenyl)-1-propyltetrazole

5-(3-chlorophenyl)-1-propyltetrazole (PubChem CID 1490175) has the molecular formula C10H11ClN4 and a molecular weight of 222.68 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-1-propyltetrazole.

Molecular Properties

Compound Name5-(3-chlorophenyl)-1-propyltetrazole
PubChem CID1490175
Molecular FormulaC10H11ClN4
Molecular Weight222.68 g/mol
Exact Mass222.07
IUPAC Name5-(3-chlorophenyl)-1-propyltetrazole
SMILESCCCn1nnnc1-c1cccc(Cl)c1
InChIInChI=1S/C10H11ClN4/c1-2-6-15-10(12-13-14-15)8-4-3-5-9(11)7-8/h3-5,7H,2,6H2,1H3
InChIKeyOKIHZEJBYXVLFJ-UHFFFAOYSA-N
XLogP2.40
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.68
LogP ≤ 52.40
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-propyltetrazole?
The IUPAC name of 5-(3-chlorophenyl)-1-propyltetrazole (CID 1490175) is 5-(3-chlorophenyl)-1-propyltetrazole.
What is the SMILES notation for 5-(3-chlorophenyl)-1-propyltetrazole?
The canonical SMILES for 5-(3-chlorophenyl)-1-propyltetrazole is CCCn1nnnc1-c1cccc(Cl)c1.
What is the InChIKey of 5-(3-chlorophenyl)-1-propyltetrazole?
The InChIKey is OKIHZEJBYXVLFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4/c1-2-6-15-10(12-13-14-15)8-4-3-5-9(11)7-8/h3-5,7H,2,6H2,1H3.
What are the key properties of 5-(3-chlorophenyl)-1-propyltetrazole?
5-(3-chlorophenyl)-1-propyltetrazole has a molecular weight of 222.68 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-1-propyltetrazole is sourced from PubChem (CID 1490175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).