N-(fluoromethyl)-6-(3,5,5-trimethylhexyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C15H24FN5 — CID 141267635

IUPACN-(fluoromethyl)-6-(3,5,5-trimethylhexyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCC(CCc1cnc2ncnn2c1NCF)CC(C)(C)C
InChIInChI=1S/C15H24FN5/c1-11(7-15(2,3)4)5-6-12-8-17-14-19-10-20-21(14)13(12)18-9-16/h8,10-11,18H,5-7,9H2,1-4H3
InChIKeyJMWCBBPJDDRJMB-UHFFFAOYSA-N
MW293.39 g/mol
LogP3.47
Rot. Bonds6

About N-(fluoromethyl)-6-(3,5,5-trimethylhexyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

N-(fluoromethyl)-6-(3,5,5-trimethylhexyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 141267635) has the molecular formula C15H24FN5 and a molecular weight of 293.39 g/mol. Its IUPAC name is N-(fluoromethyl)-6-(3,5,5-trimethylhexyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(fluoromethyl)-6-(3,5,5-trimethylhexyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID141267635
Molecular FormulaC15H24FN5
Molecular Weight293.39 g/mol
Exact Mass293.20
IUPAC NameN-(fluoromethyl)-6-(3,5,5-trimethylhexyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCC(CCc1cnc2ncnn2c1NCF)CC(C)(C)C
InChIInChI=1S/C15H24FN5/c1-11(7-15(2,3)4)5-6-12-8-17-14-19-10-20-21(14)13(12)18-9-16/h8,10-11,18H,5-7,9H2,1-4H3
InChIKeyJMWCBBPJDDRJMB-UHFFFAOYSA-N
XLogP3.47
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

3-((1,2,4)Triazolo(1,5-a)pyrimidin-6-yl)propan-1-amine dihydrochloride
CID 91623794
5-(Trifluoromethyl)-6-(3,5,5-trimethylhexyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 68739624
8-cyclopentyl-N-methyl-2-(trifluoromethyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 68940652
N-(trifluoromethyl)-6-(3,5,5-trimethylhexyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 142791630
6-(2-Azaspiro[3.3]heptan-6-ylmethyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 170784833
6-(2-Azaspiro[3.3]heptan-6-ylmethyl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 170785052
3-(2-Azaspiro[3.3]heptan-6-ylmethyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 171533004
3-(Piperidin-4-ylmethyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 174285978
4-Nonyl-1-pyrimidin-2-ylpyrazol-5-amine
CID 14306848
4-Heptyl-1-pyrimidin-2-ylpyrazol-5-amine
CID 14306851
3-{[1,2,4]Triazolo[1,5-a]pyrimidin-6-yl}propan-1-amine
CID 71778069
N-ethyl-5-propyl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine
CID 80840597

Frequently Asked Questions

What is the IUPAC name of N-(fluoromethyl)-6-(3,5,5-trimethylhexyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-(fluoromethyl)-6-(3,5,5-trimethylhexyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 141267635) is N-(fluoromethyl)-6-(3,5,5-trimethylhexyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-(fluoromethyl)-6-(3,5,5-trimethylhexyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-(fluoromethyl)-6-(3,5,5-trimethylhexyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is CC(CCc1cnc2ncnn2c1NCF)CC(C)(C)C.
What is the InChIKey of N-(fluoromethyl)-6-(3,5,5-trimethylhexyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is JMWCBBPJDDRJMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN5/c1-11(7-15(2,3)4)5-6-12-8-17-14-19-10-20-21(14)13(12)18-9-16/h8,10-11,18H,5-7,9H2,1-4H3.
What are the key properties of N-(fluoromethyl)-6-(3,5,5-trimethylhexyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-(fluoromethyl)-6-(3,5,5-trimethylhexyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 293.39 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(fluoromethyl)-6-(3,5,5-trimethylhexyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 141267635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).