N-(4,7-difluoro-2,3-dihydro-1H-inden-2-yl)-2-(1,1-difluoroethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C17H15F4N5 — CID 162671999

IUPACN-(4,7-difluoro-2,3-dihydro-1H-inden-2-yl)-2-(1,1-difluoroethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NC2Cc3c(F)ccc(F)c3C2)n2nc(C(C)(F)F)nc2n1
InChIInChI=1S/C17H15F4N5/c1-8-5-14(26-16(22-8)24-15(25-26)17(2,20)21)23-9-6-10-11(7-9)13(19)4-3-12(10)18/h3-5,9,23H,6-7H2,1-2H3
InChIKeyRFLKNKXKLVKCAE-UHFFFAOYSA-N
MW365.33 g/mol
LogP3.40
Rot. Bonds3

About N-(4,7-difluoro-2,3-dihydro-1H-inden-2-yl)-2-(1,1-difluoroethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

N-(4,7-difluoro-2,3-dihydro-1H-inden-2-yl)-2-(1,1-difluoroethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 162671999) has the molecular formula C17H15F4N5 and a molecular weight of 365.33 g/mol. Its IUPAC name is N-(4,7-difluoro-2,3-dihydro-1H-inden-2-yl)-2-(1,1-difluoroethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(4,7-difluoro-2,3-dihydro-1H-inden-2-yl)-2-(1,1-difluoroethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID162671999
Molecular FormulaC17H15F4N5
Molecular Weight365.33 g/mol
Exact Mass365.13
IUPAC NameN-(4,7-difluoro-2,3-dihydro-1H-inden-2-yl)-2-(1,1-difluoroethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NC2Cc3c(F)ccc(F)c3C2)n2nc(C(C)(F)F)nc2n1
InChIInChI=1S/C17H15F4N5/c1-8-5-14(26-16(22-8)24-15(25-26)17(2,20)21)23-9-6-10-11(7-9)13(19)4-3-12(10)18/h3-5,9,23H,6-7H2,1-2H3
InChIKeyRFLKNKXKLVKCAE-UHFFFAOYSA-N
XLogP3.40
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.33
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(4,7-difluoro-2,3-dihydro-1H-inden-2-yl)-2-(1,1-difluoroethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine with MolForge

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Related Compounds

Dsm-74
CID 25263414
N-(3-fluoro-4-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 653193
N-[3-fluoro-4-(trifluoromethyl)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 25263434
N-[3,5-Difluoro-4-(Trifluoromethyl)phenyl]-5-Methyl-2-(Trifluoromethyl)[1,2,4]triazolo[1,5-A]pyrimidin-7-Amine
CID 51031042
2-(1,1-Difluoroethyl)-5-Methyl-N-[4-(Trifluoromethyl)phenyl][1,2,4]triazolo[1,5-A]pyrimidin-7-Amine
CID 51349276
N-cyclopentyl-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 3813473
N-benzyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 743063
5-methyl-N-(2-naphthyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 71594991
Pyrazolo[1,5-a]-1,3,5-triazine, 13-1
CID 42618207
N-(4-fluoro-3-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 25263430
5-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 25263432
N-(7-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-2-(1,1-difluoroethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 162653615

Frequently Asked Questions

What is the IUPAC name of N-(4,7-difluoro-2,3-dihydro-1H-inden-2-yl)-2-(1,1-difluoroethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-(4,7-difluoro-2,3-dihydro-1H-inden-2-yl)-2-(1,1-difluoroethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 162671999) is N-(4,7-difluoro-2,3-dihydro-1H-inden-2-yl)-2-(1,1-difluoroethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-(4,7-difluoro-2,3-dihydro-1H-inden-2-yl)-2-(1,1-difluoroethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-(4,7-difluoro-2,3-dihydro-1H-inden-2-yl)-2-(1,1-difluoroethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1cc(NC2Cc3c(F)ccc(F)c3C2)n2nc(C(C)(F)F)nc2n1.
What is the InChIKey of N-(4,7-difluoro-2,3-dihydro-1H-inden-2-yl)-2-(1,1-difluoroethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is RFLKNKXKLVKCAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F4N5/c1-8-5-14(26-16(22-8)24-15(25-26)17(2,20)21)23-9-6-10-11(7-9)13(19)4-3-12(10)18/h3-5,9,23H,6-7H2,1-2H3.
What are the key properties of N-(4,7-difluoro-2,3-dihydro-1H-inden-2-yl)-2-(1,1-difluoroethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-(4,7-difluoro-2,3-dihydro-1H-inden-2-yl)-2-(1,1-difluoroethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 365.33 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,7-difluoro-2,3-dihydro-1H-inden-2-yl)-2-(1,1-difluoroethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 162671999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).