7-chloro-5-phenyltetrazolo[1,5-a]quinazoline

C14H8ClN5 — CID 746189

IUPAC7-chloro-5-phenyltetrazolo[1,5-a]quinazoline
SMILESClc1ccc2c(c1)c(-c1ccccc1)nc1nnnn12
InChIInChI=1S/C14H8ClN5/c15-10-6-7-12-11(8-10)13(9-4-2-1-3-5-9)16-14-17-18-19-20(12)14/h1-8H
InChIKeyFIHDWRCZRZLYCR-UHFFFAOYSA-N
MW281.71 g/mol
LogP2.99
Rot. Bonds1

About 7-chloro-5-phenyltetrazolo[1,5-a]quinazoline

7-chloro-5-phenyltetrazolo[1,5-a]quinazoline (PubChem CID 746189) has the molecular formula C14H8ClN5 and a molecular weight of 281.71 g/mol. Its IUPAC name is 7-chloro-5-phenyltetrazolo[1,5-a]quinazoline.

Molecular Properties

Compound Name7-chloro-5-phenyltetrazolo[1,5-a]quinazoline
PubChem CID746189
Molecular FormulaC14H8ClN5
Molecular Weight281.71 g/mol
Exact Mass281.05
IUPAC Name7-chloro-5-phenyltetrazolo[1,5-a]quinazoline
SMILESClc1ccc2c(c1)c(-c1ccccc1)nc1nnnn12
InChIInChI=1S/C14H8ClN5/c15-10-6-7-12-11(8-10)13(9-4-2-1-3-5-9)16-14-17-18-19-20(12)14/h1-8H
InChIKeyFIHDWRCZRZLYCR-UHFFFAOYSA-N
XLogP2.99
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.71
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-phenyltetrazolo[1,5-a]quinazoline?
The IUPAC name of 7-chloro-5-phenyltetrazolo[1,5-a]quinazoline (CID 746189) is 7-chloro-5-phenyltetrazolo[1,5-a]quinazoline.
What is the SMILES notation for 7-chloro-5-phenyltetrazolo[1,5-a]quinazoline?
The canonical SMILES for 7-chloro-5-phenyltetrazolo[1,5-a]quinazoline is Clc1ccc2c(c1)c(-c1ccccc1)nc1nnnn12.
What is the InChIKey of 7-chloro-5-phenyltetrazolo[1,5-a]quinazoline?
The InChIKey is FIHDWRCZRZLYCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClN5/c15-10-6-7-12-11(8-10)13(9-4-2-1-3-5-9)16-14-17-18-19-20(12)14/h1-8H.
What are the key properties of 7-chloro-5-phenyltetrazolo[1,5-a]quinazoline?
7-chloro-5-phenyltetrazolo[1,5-a]quinazoline has a molecular weight of 281.71 g/mol, XLogP of 2.99, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-phenyltetrazolo[1,5-a]quinazoline is sourced from PubChem (CID 746189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).