N-(2,4-dimethylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-amine

C17H19N5 — CID 22579266

IUPACN-(2,4-dimethylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-amine
SMILESCc1ccc(Nc2c3c(nc4ncnn24)CCCC3)c(C)c1
InChIInChI=1S/C17H19N5/c1-11-7-8-14(12(2)9-11)20-16-13-5-3-4-6-15(13)21-17-18-10-19-22(16)17/h7-10,20H,3-6H2,1-2H3
InChIKeyCGMWNDBAQUROLT-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.36
Rot. Bonds2

About N-(2,4-dimethylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-amine

N-(2,4-dimethylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-amine (PubChem CID 22579266) has the molecular formula C17H19N5 and a molecular weight of 293.37 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-amine.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-amine
PubChem CID22579266
Molecular FormulaC17H19N5
Molecular Weight293.37 g/mol
Exact Mass293.16
IUPAC NameN-(2,4-dimethylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-amine
SMILESCc1ccc(Nc2c3c(nc4ncnn24)CCCC3)c(C)c1
InChIInChI=1S/C17H19N5/c1-11-7-8-14(12(2)9-11)20-16-13-5-3-4-6-15(13)21-17-18-10-19-22(16)17/h7-10,20H,3-6H2,1-2H3
InChIKeyCGMWNDBAQUROLT-UHFFFAOYSA-N
XLogP3.36
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2,4-dimethylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-amine with MolForge

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Related Compounds

PF-04254644
CID 24871823
5-methyl-N-(naphthalen-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 660996
N-(3-bromophenyl)-1-methyl-1H-pyrazolo[4,3-g]quinazolin-5-amine
CID 5328280
4-(6-(4-(1-Piperazinyl)phenyl)pyrazolo(1,5-a)pyrimidin-3-yl)quinoline
CID 25195294
5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 741597
N,N-Dimethyl-N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-benzene-1,4-diamine
CID 741604
3MB-PP1
CID 24865390
N-anthracen-2-yl-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 24882195
1-(1-methylethyl)-3-quinolin-6-yl-1H-pyrazolo(3,4-d)pyrimidin-4-amine
CID 24905152
Dsm-74
CID 25263414
N-(3,4-dimethylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 777184
1-(1,1-Dimethylethyl)-3-(1-naphthalenylmethyl)-1H-pyrazolo(3,4-d)pyrimidin-4-amine
CID 5154691

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-amine?
The IUPAC name of N-(2,4-dimethylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-amine (CID 22579266) is N-(2,4-dimethylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-amine.
What is the SMILES notation for N-(2,4-dimethylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-amine?
The canonical SMILES for N-(2,4-dimethylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-amine is Cc1ccc(Nc2c3c(nc4ncnn24)CCCC3)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-amine?
The InChIKey is CGMWNDBAQUROLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5/c1-11-7-8-14(12(2)9-11)20-16-13-5-3-4-6-15(13)21-17-18-10-19-22(16)17/h7-10,20H,3-6H2,1-2H3.
What are the key properties of N-(2,4-dimethylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-amine?
N-(2,4-dimethylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-amine has a molecular weight of 293.37 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-amine is sourced from PubChem (CID 22579266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).