8-butyl-N-methyl-N-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine

C20H21N5 — CID 167704368

IUPAC8-butyl-N-methyl-N-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine
SMILESCCCCc1ccc2c(N(C)c3ccccc3)nc3nncn3c2c1
InChIInChI=1S/C20H21N5/c1-3-4-8-15-11-12-17-18(13-15)25-14-21-23-20(25)22-19(17)24(2)16-9-6-5-7-10-16/h5-7,9-14H,3-4,8H2,1-2H3
InChIKeyYWKHMXQSIWYODS-UHFFFAOYSA-N
MW331.42 g/mol
LogP4.39
Rot. Bonds5

About 8-butyl-N-methyl-N-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine

8-butyl-N-methyl-N-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine (PubChem CID 167704368) has the molecular formula C20H21N5 and a molecular weight of 331.42 g/mol. Its IUPAC name is 8-butyl-N-methyl-N-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine.

Molecular Properties

Compound Name8-butyl-N-methyl-N-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine
PubChem CID167704368
Molecular FormulaC20H21N5
Molecular Weight331.42 g/mol
Exact Mass331.18
IUPAC Name8-butyl-N-methyl-N-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine
SMILESCCCCc1ccc2c(N(C)c3ccccc3)nc3nncn3c2c1
InChIInChI=1S/C20H21N5/c1-3-4-8-15-11-12-17-18(13-15)25-14-21-23-20(25)22-19(17)24(2)16-9-6-5-7-10-16/h5-7,9-14H,3-4,8H2,1-2H3
InChIKeyYWKHMXQSIWYODS-UHFFFAOYSA-N
XLogP4.39
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-8-(methylaminomethyl)-N-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine
CID 156557611
N-methyl-8-nitro-N-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine
CID 156536720
8-(2-methoxyphenyl)-N-methyl-N-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine
CID 156536911
N-methyl-N-naphthalen-2-yl-8-nitro-[1,2,4]triazolo[4,3-a]quinazolin-5-amine
CID 156537524
N-(2,6-difluorophenyl)-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine
CID 156536530
N-[3-(4-methoxyphenyl)phenyl]-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine
CID 156537343
N-[3-(4-tert-butylphenyl)phenyl]-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine
CID 156537093
4-[3-[(8-chloro-[1,2,4]triazolo[4,3-a]quinazolin-5-yl)-methylamino]phenyl]benzoic acid
CID 156557680
N-methyl-8-(3-methyl-3-methylsulfonylbut-1-ynyl)-N-[3-(3-methyl-3-methylsulfonylbut-1-ynyl)phenyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-amine
CID 156536979
N-(3-bromophenyl)-8-chloro-7-fluoro-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine
CID 156536310
1-[5-(N-methylanilino)pyrrolo[1,2-a]quinazolin-8-yl]propan-1-ol
CID 170795333
3-butyl-N-(3-butylphenyl)-N-phenylaniline
CID 90178850

Frequently Asked Questions

What is the IUPAC name of 8-butyl-N-methyl-N-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine?
The IUPAC name of 8-butyl-N-methyl-N-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine (CID 167704368) is 8-butyl-N-methyl-N-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine.
What is the SMILES notation for 8-butyl-N-methyl-N-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine?
The canonical SMILES for 8-butyl-N-methyl-N-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine is CCCCc1ccc2c(N(C)c3ccccc3)nc3nncn3c2c1.
What is the InChIKey of 8-butyl-N-methyl-N-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine?
The InChIKey is YWKHMXQSIWYODS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5/c1-3-4-8-15-11-12-17-18(13-15)25-14-21-23-20(25)22-19(17)24(2)16-9-6-5-7-10-16/h5-7,9-14H,3-4,8H2,1-2H3.
What are the key properties of 8-butyl-N-methyl-N-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine?
8-butyl-N-methyl-N-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine has a molecular weight of 331.42 g/mol, XLogP of 4.39, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-butyl-N-methyl-N-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine is sourced from PubChem (CID 167704368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).