9-[4-(2,5-dimethylphenyl)piperazin-1-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazoline

C21H26N6 — CID 22579247

IUPAC9-[4-(2,5-dimethylphenyl)piperazin-1-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazoline
SMILESCc1ccc(C)c(N2CCN(c3c4c(nc5ncnn35)CCCC4)CC2)c1
InChIInChI=1S/C21H26N6/c1-15-7-8-16(2)19(13-15)25-9-11-26(12-10-25)20-17-5-3-4-6-18(17)24-21-22-14-23-27(20)21/h7-8,13-14H,3-6,9-12H2,1-2H3
InChIKeyTZTLCDMJAYLLCY-UHFFFAOYSA-N
MW362.48 g/mol
LogP2.95
Rot. Bonds2

About 9-[4-(2,5-dimethylphenyl)piperazin-1-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazoline

9-[4-(2,5-dimethylphenyl)piperazin-1-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazoline (PubChem CID 22579247) has the molecular formula C21H26N6 and a molecular weight of 362.48 g/mol. Its IUPAC name is 9-[4-(2,5-dimethylphenyl)piperazin-1-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazoline.

Molecular Properties

Compound Name9-[4-(2,5-dimethylphenyl)piperazin-1-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazoline
PubChem CID22579247
Molecular FormulaC21H26N6
Molecular Weight362.48 g/mol
Exact Mass362.22
IUPAC Name9-[4-(2,5-dimethylphenyl)piperazin-1-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazoline
SMILESCc1ccc(C)c(N2CCN(c3c4c(nc5ncnn35)CCCC4)CC2)c1
InChIInChI=1S/C21H26N6/c1-15-7-8-16(2)19(13-15)25-9-11-26(12-10-25)20-17-5-3-4-6-18(17)24-21-22-14-23-27(20)21/h7-8,13-14H,3-6,9-12H2,1-2H3
InChIKeyTZTLCDMJAYLLCY-UHFFFAOYSA-N
XLogP2.95
TPSA49.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 9-[4-(2,5-dimethylphenyl)piperazin-1-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazoline with MolForge

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Related Compounds

N6,N6-dimethyl-N4-[1-(phenylmethyl)-5-indazolyl]pyrido[3,4-d]pyrimidine-4,6-diamine
CID 6603857
1[2(3Fluorophenyl)5H,6H,7H,8Hpyrazolo[3,2b]quinazolin9yl]piperazine (Inh 6)
CID 1441765
(1-Benzyl-1H-indazol-5-yl)-quinazolin-4-yl-amine
CID 44279444
4-[6-[4-(4-Methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
CID 60182364
7-[4-(4-Fluorophenyl)piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 1966878
1-[(4-Methylphenyl)methyl]-4-[4-(2-methylphenyl)-1-piperazinyl]pyrazolo[3,4-d]pyrimidine
CID 1502520
Minozac free base
CID 11515480
N,3-dimethyl-N-(3-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-amine
CID 16023100
Pyrazolo[1,5-a]-1,3,5-triazine, 13-8
CID 42618214
5-methyl-N-(naphthalen-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 743061
5-methyl-N-(3-methylphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 743043
N-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)quinolin-6-amine
CID 24882115

Frequently Asked Questions

What is the IUPAC name of 9-[4-(2,5-dimethylphenyl)piperazin-1-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazoline?
The IUPAC name of 9-[4-(2,5-dimethylphenyl)piperazin-1-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazoline (CID 22579247) is 9-[4-(2,5-dimethylphenyl)piperazin-1-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazoline.
What is the SMILES notation for 9-[4-(2,5-dimethylphenyl)piperazin-1-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazoline?
The canonical SMILES for 9-[4-(2,5-dimethylphenyl)piperazin-1-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazoline is Cc1ccc(C)c(N2CCN(c3c4c(nc5ncnn35)CCCC4)CC2)c1.
What is the InChIKey of 9-[4-(2,5-dimethylphenyl)piperazin-1-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazoline?
The InChIKey is TZTLCDMJAYLLCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6/c1-15-7-8-16(2)19(13-15)25-9-11-26(12-10-25)20-17-5-3-4-6-18(17)24-21-22-14-23-27(20)21/h7-8,13-14H,3-6,9-12H2,1-2H3.
What are the key properties of 9-[4-(2,5-dimethylphenyl)piperazin-1-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazoline?
9-[4-(2,5-dimethylphenyl)piperazin-1-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazoline has a molecular weight of 362.48 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(2,5-dimethylphenyl)piperazin-1-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazoline is sourced from PubChem (CID 22579247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).