5-(3,5-dichlorophenyl)-1-propyltetrazole

C10H10Cl2N4 — CID 1490186

IUPAC5-(3,5-dichlorophenyl)-1-propyltetrazole
SMILESCCCn1nnnc1-c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C10H10Cl2N4/c1-2-3-16-10(13-14-15-16)7-4-8(11)6-9(12)5-7/h4-6H,2-3H2,1H3
InChIKeyIGSZRLDBDNXRFA-UHFFFAOYSA-N
MW257.12 g/mol
LogP3.06
Rot. Bonds3

About 5-(3,5-dichlorophenyl)-1-propyltetrazole

5-(3,5-dichlorophenyl)-1-propyltetrazole (PubChem CID 1490186) has the molecular formula C10H10Cl2N4 and a molecular weight of 257.12 g/mol. Its IUPAC name is 5-(3,5-dichlorophenyl)-1-propyltetrazole.

Molecular Properties

Compound Name5-(3,5-dichlorophenyl)-1-propyltetrazole
PubChem CID1490186
Molecular FormulaC10H10Cl2N4
Molecular Weight257.12 g/mol
Exact Mass256.03
IUPAC Name5-(3,5-dichlorophenyl)-1-propyltetrazole
SMILESCCCn1nnnc1-c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C10H10Cl2N4/c1-2-3-16-10(13-14-15-16)7-4-8(11)6-9(12)5-7/h4-6H,2-3H2,1H3
InChIKeyIGSZRLDBDNXRFA-UHFFFAOYSA-N
XLogP3.06
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.12
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dichlorophenyl)-1-propyltetrazole?
The IUPAC name of 5-(3,5-dichlorophenyl)-1-propyltetrazole (CID 1490186) is 5-(3,5-dichlorophenyl)-1-propyltetrazole.
What is the SMILES notation for 5-(3,5-dichlorophenyl)-1-propyltetrazole?
The canonical SMILES for 5-(3,5-dichlorophenyl)-1-propyltetrazole is CCCn1nnnc1-c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 5-(3,5-dichlorophenyl)-1-propyltetrazole?
The InChIKey is IGSZRLDBDNXRFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2N4/c1-2-3-16-10(13-14-15-16)7-4-8(11)6-9(12)5-7/h4-6H,2-3H2,1H3.
What are the key properties of 5-(3,5-dichlorophenyl)-1-propyltetrazole?
5-(3,5-dichlorophenyl)-1-propyltetrazole has a molecular weight of 257.12 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dichlorophenyl)-1-propyltetrazole is sourced from PubChem (CID 1490186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).