N-(6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C16H16FN5 — CID 51348003

IUPACN-(6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NC2CCc3cc(F)ccc3C2)n2ncnc2n1
InChIInChI=1S/C16H16FN5/c1-10-6-15(22-16(20-10)18-9-19-22)21-14-5-3-11-7-13(17)4-2-12(11)8-14/h2,4,6-7,9,14,21H,3,5,8H2,1H3
InChIKeyBXGYDZBWAZSHJE-UHFFFAOYSA-N
MW297.34 g/mol
LogP2.54
Rot. Bonds2

About N-(6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

N-(6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 51348003) has the molecular formula C16H16FN5 and a molecular weight of 297.34 g/mol. Its IUPAC name is N-(6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID51348003
Molecular FormulaC16H16FN5
Molecular Weight297.34 g/mol
Exact Mass297.14
IUPAC NameN-(6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NC2CCc3cc(F)ccc3C2)n2ncnc2n1
InChIInChI=1S/C16H16FN5/c1-10-6-15(22-16(20-10)18-9-19-22)21-14-5-3-11-7-13(17)4-2-12(11)8-14/h2,4,6-7,9,14,21H,3,5,8H2,1H3
InChIKeyBXGYDZBWAZSHJE-UHFFFAOYSA-N
XLogP2.54
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-(6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 51348003) is N-(6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-(6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-(6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1cc(NC2CCc3cc(F)ccc3C2)n2ncnc2n1.
What is the InChIKey of N-(6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is BXGYDZBWAZSHJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN5/c1-10-6-15(22-16(20-10)18-9-19-22)21-14-5-3-11-7-13(17)4-2-12(11)8-14/h2,4,6-7,9,14,21H,3,5,8H2,1H3.
What are the key properties of N-(6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-(6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 297.34 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 51348003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).