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

C18H20FN5 — CID 6484057

IUPACN-[2-(2-fluorophenyl)ethyl]-6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-amine
SMILESCC1CCc2c(nc3ncnn3c2NCCc2ccccc2F)C1
InChIInChI=1S/C18H20FN5/c1-12-6-7-14-16(10-12)23-18-21-11-22-24(18)17(14)20-9-8-13-4-2-3-5-15(13)19/h2-5,11-12,20H,6-10H2,1H3
InChIKeyBLQTVYRFEYBFMO-UHFFFAOYSA-N
MW325.39 g/mol
LogP3.04
Rot. Bonds4

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

N-[2-(2-fluorophenyl)ethyl]-6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-amine (PubChem CID 6484057) has the molecular formula C18H20FN5 and a molecular weight of 325.39 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]-6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-amine.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)ethyl]-6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-amine
PubChem CID6484057
Molecular FormulaC18H20FN5
Molecular Weight325.39 g/mol
Exact Mass325.17
IUPAC NameN-[2-(2-fluorophenyl)ethyl]-6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-amine
SMILESCC1CCc2c(nc3ncnn3c2NCCc2ccccc2F)C1
InChIInChI=1S/C18H20FN5/c1-12-6-7-14-16(10-12)23-18-21-11-22-24(18)17(14)20-9-8-13-4-2-3-5-15(13)19/h2-5,11-12,20H,6-10H2,1H3
InChIKeyBLQTVYRFEYBFMO-UHFFFAOYSA-N
XLogP3.04
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

Unc569
CID 53355503
5-methyl-N-(naphthalen-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 660996
5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 741597
3-cyclopropyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo(1,5-a)pyrimidin-7-amine
CID 10042950
5-(2-fluorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 21066096
Dsm-74
CID 25263414
N-((2-aminopyrimidin-5-yl)methyl)-5-(2,6-difluorophenyl)-3-ethylpyrazolo(1,5-a)pyrimidin-7-amine
CID 44629554
N-(3,4-dimethylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 777184
3-(Naphthalen-1-Ylmethyl)-1-(Piperidin-4-Ylmethyl)-1h-Pyrazolo[3,4-D]pyrimidin-4-Amine
CID 46398830
N-(3-fluoro-4-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 653193
1[2(3Fluorophenyl)5H,6H,7H,8Hpyrazolo[3,2b]quinazolin9yl]piperazine (Inh 6)
CID 1441765
N-(2-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 5307386

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]-6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-amine?
The IUPAC name of N-[2-(2-fluorophenyl)ethyl]-6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-amine (CID 6484057) is N-[2-(2-fluorophenyl)ethyl]-6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-amine.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]-6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-amine?
The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]-6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-amine is CC1CCc2c(nc3ncnn3c2NCCc2ccccc2F)C1.
What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]-6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-amine?
The InChIKey is BLQTVYRFEYBFMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN5/c1-12-6-7-14-16(10-12)23-18-21-11-22-24(18)17(14)20-9-8-13-4-2-3-5-15(13)19/h2-5,11-12,20H,6-10H2,1H3.
What are the key properties of N-[2-(2-fluorophenyl)ethyl]-6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-amine?
N-[2-(2-fluorophenyl)ethyl]-6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-amine has a molecular weight of 325.39 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)ethyl]-6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-amine is sourced from PubChem (CID 6484057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).