1-chloro-2,3,5-triphenyltetrazole

C19H15ClN4 — CID 14854159

IUPAC1-chloro-2,3,5-triphenyltetrazole
SMILESClN1C(c2ccccc2)=NN(c2ccccc2)N1c1ccccc1
InChIInChI=1S/C19H15ClN4/c20-22-19(16-10-4-1-5-11-16)21-23(17-12-6-2-7-13-17)24(22)18-14-8-3-9-15-18/h1-15H
InChIKeyRNRONMBFDNPPOJ-UHFFFAOYSA-N
MW334.81 g/mol
LogP4.66
Rot. Bonds3

About 1-chloro-2,3,5-triphenyltetrazole

1-chloro-2,3,5-triphenyltetrazole (PubChem CID 14854159) has the molecular formula C19H15ClN4 and a molecular weight of 334.81 g/mol. Its IUPAC name is 1-chloro-2,3,5-triphenyltetrazole.

Molecular Properties

Compound Name1-chloro-2,3,5-triphenyltetrazole
PubChem CID14854159
Molecular FormulaC19H15ClN4
Molecular Weight334.81 g/mol
Exact Mass334.10
IUPAC Name1-chloro-2,3,5-triphenyltetrazole
SMILESClN1C(c2ccccc2)=NN(c2ccccc2)N1c1ccccc1
InChIInChI=1S/C19H15ClN4/c20-22-19(16-10-4-1-5-11-16)21-23(17-12-6-2-7-13-17)24(22)18-14-8-3-9-15-18/h1-15H
InChIKeyRNRONMBFDNPPOJ-UHFFFAOYSA-N
XLogP4.66
TPSA22.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.81
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2,3,5-triphenyltetrazole?
The IUPAC name of 1-chloro-2,3,5-triphenyltetrazole (CID 14854159) is 1-chloro-2,3,5-triphenyltetrazole.
What is the SMILES notation for 1-chloro-2,3,5-triphenyltetrazole?
The canonical SMILES for 1-chloro-2,3,5-triphenyltetrazole is ClN1C(c2ccccc2)=NN(c2ccccc2)N1c1ccccc1.
What is the InChIKey of 1-chloro-2,3,5-triphenyltetrazole?
The InChIKey is RNRONMBFDNPPOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4/c20-22-19(16-10-4-1-5-11-16)21-23(17-12-6-2-7-13-17)24(22)18-14-8-3-9-15-18/h1-15H.
What are the key properties of 1-chloro-2,3,5-triphenyltetrazole?
1-chloro-2,3,5-triphenyltetrazole has a molecular weight of 334.81 g/mol, XLogP of 4.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2,3,5-triphenyltetrazole is sourced from PubChem (CID 14854159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).