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

C17H18FN5 — CID 133446453

IUPACN-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1nc2ncnn2c(NC2CCCc3ccc(F)cc32)c1C
InChIInChI=1S/C17H18FN5/c1-10-11(2)21-17-19-9-20-23(17)16(10)22-15-5-3-4-12-6-7-13(18)8-14(12)15/h6-9,15,22H,3-5H2,1-2H3
InChIKeyNWNUYGAYUTUPRB-UHFFFAOYSA-N
MW311.36 g/mol
LogP3.37
Rot. Bonds2

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

N-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 133446453) has the molecular formula C17H18FN5 and a molecular weight of 311.36 g/mol. Its IUPAC name is N-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID133446453
Molecular FormulaC17H18FN5
Molecular Weight311.36 g/mol
Exact Mass311.15
IUPAC NameN-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1nc2ncnn2c(NC2CCCc3ccc(F)cc32)c1C
InChIInChI=1S/C17H18FN5/c1-10-11(2)21-17-19-9-20-23(17)16(10)22-15-5-3-4-12-6-7-13(18)8-14(12)15/h6-9,15,22H,3-5H2,1-2H3
InChIKeyNWNUYGAYUTUPRB-UHFFFAOYSA-N
XLogP3.37
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 133446453) is N-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1nc2ncnn2c(NC2CCCc3ccc(F)cc32)c1C.
What is the InChIKey of N-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is NWNUYGAYUTUPRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN5/c1-10-11(2)21-17-19-9-20-23(17)16(10)22-15-5-3-4-12-6-7-13(18)8-14(12)15/h6-9,15,22H,3-5H2,1-2H3.
What are the key properties of N-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 311.36 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 133446453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).