8-chloro-5-phenyl-4,5-dihydrotetrazolo[1,5-a]quinazoline

C14H10ClN5 — CID 135737539

IUPAC8-chloro-5-phenyl-4,5-dihydrotetrazolo[1,5-a]quinazoline
SMILESClc1ccc2c(c1)-n1nnnc1NC2c1ccccc1
InChIInChI=1S/C14H10ClN5/c15-10-6-7-11-12(8-10)20-14(17-18-19-20)16-13(11)9-4-2-1-3-5-9/h1-8,13H,(H,16,17,19)
InChIKeyPHQJJTNRSVGBLC-UHFFFAOYSA-N
MW283.72 g/mol
LogP2.83
Rot. Bonds1

About 8-chloro-5-phenyl-4,5-dihydrotetrazolo[1,5-a]quinazoline

8-chloro-5-phenyl-4,5-dihydrotetrazolo[1,5-a]quinazoline (PubChem CID 135737539) has the molecular formula C14H10ClN5 and a molecular weight of 283.72 g/mol. Its IUPAC name is 8-chloro-5-phenyl-4,5-dihydrotetrazolo[1,5-a]quinazoline.

Molecular Properties

Compound Name8-chloro-5-phenyl-4,5-dihydrotetrazolo[1,5-a]quinazoline
PubChem CID135737539
Molecular FormulaC14H10ClN5
Molecular Weight283.72 g/mol
Exact Mass283.06
IUPAC Name8-chloro-5-phenyl-4,5-dihydrotetrazolo[1,5-a]quinazoline
SMILESClc1ccc2c(c1)-n1nnnc1NC2c1ccccc1
InChIInChI=1S/C14H10ClN5/c15-10-6-7-11-12(8-10)20-14(17-18-19-20)16-13(11)9-4-2-1-3-5-9/h1-8,13H,(H,16,17,19)
InChIKeyPHQJJTNRSVGBLC-UHFFFAOYSA-N
XLogP2.83
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.72
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-5-phenyl-4,5-dihydrotetrazolo[1,5-a]quinazoline?
The IUPAC name of 8-chloro-5-phenyl-4,5-dihydrotetrazolo[1,5-a]quinazoline (CID 135737539) is 8-chloro-5-phenyl-4,5-dihydrotetrazolo[1,5-a]quinazoline.
What is the SMILES notation for 8-chloro-5-phenyl-4,5-dihydrotetrazolo[1,5-a]quinazoline?
The canonical SMILES for 8-chloro-5-phenyl-4,5-dihydrotetrazolo[1,5-a]quinazoline is Clc1ccc2c(c1)-n1nnnc1NC2c1ccccc1.
What is the InChIKey of 8-chloro-5-phenyl-4,5-dihydrotetrazolo[1,5-a]quinazoline?
The InChIKey is PHQJJTNRSVGBLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN5/c15-10-6-7-11-12(8-10)20-14(17-18-19-20)16-13(11)9-4-2-1-3-5-9/h1-8,13H,(H,16,17,19).
What are the key properties of 8-chloro-5-phenyl-4,5-dihydrotetrazolo[1,5-a]quinazoline?
8-chloro-5-phenyl-4,5-dihydrotetrazolo[1,5-a]quinazoline has a molecular weight of 283.72 g/mol, XLogP of 2.83, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-5-phenyl-4,5-dihydrotetrazolo[1,5-a]quinazoline is sourced from PubChem (CID 135737539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).