3-(4-chlorophenyl)-N,N-dipropyltriazolo[1,5-a]quinazolin-5-amine

C21H22ClN5 — CID 22424551

IUPAC3-(4-chlorophenyl)-N,N-dipropyltriazolo[1,5-a]quinazolin-5-amine
SMILESCCCN(CCC)c1nc2c(-c3ccc(Cl)cc3)nnn2c2ccccc12
InChIInChI=1S/C21H22ClN5/c1-3-13-26(14-4-2)20-17-7-5-6-8-18(17)27-21(23-20)19(24-25-27)15-9-11-16(22)12-10-15/h5-12H,3-4,13-14H2,1-2H3
InChIKeyHSIZAOCGADJUQM-UHFFFAOYSA-N
MW379.90 g/mol
LogP5.22
Rot. Bonds6

About 3-(4-chlorophenyl)-N,N-dipropyltriazolo[1,5-a]quinazolin-5-amine

3-(4-chlorophenyl)-N,N-dipropyltriazolo[1,5-a]quinazolin-5-amine (PubChem CID 22424551) has the molecular formula C21H22ClN5 and a molecular weight of 379.90 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N,N-dipropyltriazolo[1,5-a]quinazolin-5-amine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N,N-dipropyltriazolo[1,5-a]quinazolin-5-amine
PubChem CID22424551
Molecular FormulaC21H22ClN5
Molecular Weight379.90 g/mol
Exact Mass379.16
IUPAC Name3-(4-chlorophenyl)-N,N-dipropyltriazolo[1,5-a]quinazolin-5-amine
SMILESCCCN(CCC)c1nc2c(-c3ccc(Cl)cc3)nnn2c2ccccc12
InChIInChI=1S/C21H22ClN5/c1-3-13-26(14-4-2)20-17-7-5-6-8-18(17)27-21(23-20)19(24-25-27)15-9-11-16(22)12-10-15/h5-12H,3-4,13-14H2,1-2H3
InChIKeyHSIZAOCGADJUQM-UHFFFAOYSA-N
XLogP5.22
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.90
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N,N-dipropyltriazolo[1,5-a]quinazolin-5-amine?
The IUPAC name of 3-(4-chlorophenyl)-N,N-dipropyltriazolo[1,5-a]quinazolin-5-amine (CID 22424551) is 3-(4-chlorophenyl)-N,N-dipropyltriazolo[1,5-a]quinazolin-5-amine.
What is the SMILES notation for 3-(4-chlorophenyl)-N,N-dipropyltriazolo[1,5-a]quinazolin-5-amine?
The canonical SMILES for 3-(4-chlorophenyl)-N,N-dipropyltriazolo[1,5-a]quinazolin-5-amine is CCCN(CCC)c1nc2c(-c3ccc(Cl)cc3)nnn2c2ccccc12.
What is the InChIKey of 3-(4-chlorophenyl)-N,N-dipropyltriazolo[1,5-a]quinazolin-5-amine?
The InChIKey is HSIZAOCGADJUQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN5/c1-3-13-26(14-4-2)20-17-7-5-6-8-18(17)27-21(23-20)19(24-25-27)15-9-11-16(22)12-10-15/h5-12H,3-4,13-14H2,1-2H3.
What are the key properties of 3-(4-chlorophenyl)-N,N-dipropyltriazolo[1,5-a]quinazolin-5-amine?
3-(4-chlorophenyl)-N,N-dipropyltriazolo[1,5-a]quinazolin-5-amine has a molecular weight of 379.90 g/mol, XLogP of 5.22, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N,N-dipropyltriazolo[1,5-a]quinazolin-5-amine is sourced from PubChem (CID 22424551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).