4-(4-fluorophenyl)-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine

C11H12FN5 — CID 175784233

IUPAC4-(4-fluorophenyl)-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
SMILESNc1nc2n(n1)CCCN2c1ccc(F)cc1
InChIInChI=1S/C11H12FN5/c12-8-2-4-9(5-3-8)16-6-1-7-17-11(16)14-10(13)15-17/h2-5H,1,6-7H2,(H2,13,15)
InChIKeyUISWNFRECKKJBI-UHFFFAOYSA-N
MW233.25 g/mol
LogP1.54
Rot. Bonds1

About 4-(4-fluorophenyl)-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine

4-(4-fluorophenyl)-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine (PubChem CID 175784233) has the molecular formula C11H12FN5 and a molecular weight of 233.25 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-fluorophenyl)-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
PubChem CID175784233
Molecular FormulaC11H12FN5
Molecular Weight233.25 g/mol
Exact Mass233.11
IUPAC Name4-(4-fluorophenyl)-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
SMILESNc1nc2n(n1)CCCN2c1ccc(F)cc1
InChIInChI=1S/C11H12FN5/c12-8-2-4-9(5-3-8)16-6-1-7-17-11(16)14-10(13)15-17/h2-5H,1,6-7H2,(H2,13,15)
InChIKeyUISWNFRECKKJBI-UHFFFAOYSA-N
XLogP1.54
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-bromo-4-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidine
CID 134400693
2-bromo-4-(3-fluoro-5-methylphenyl)-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidine
CID 174178744
5-[4-[[4-(4-fluorophenyl)-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methyl]-2-methylphenyl]-2-methyl-1,3-oxazole
CID 157269511
4-(4-fluorophenyl)-N-[(1R,5S)-3-(6-methoxypyrimidin-4-yl)-3-azabicyclo[3.2.1]octan-8-yl]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
CID 146306601
4-(4-fluorophenyl)-2-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidine
CID 67067291
1-(4-fluorophenyl)-1,2,4-triazol-3-amine
CID 115015065
3-ethyl-9-(4-fluorophenyl)-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
CID 4891153
10-(4-fluorophenyl)-1-methyl-6,7,8,9-tetrahydropurino[7,8-a][1,3]diazepine-2,4-dione
CID 82018468
1-(4-fluorophenyl)-3,4-dihydro-2H-azepin-7-one
CID 67518065
3-(aminomethyl)-1-(4-fluorophenyl)piperidin-2-one
CID 83642502
2-[9-(4-fluorophenyl)-1-methyl-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl]acetohydrazide
CID 7585872
1-(4-fluorophenyl)-3,3-dimethylpiperidin-2-one
CID 146432816

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The IUPAC name of 4-(4-fluorophenyl)-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine (CID 175784233) is 4-(4-fluorophenyl)-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine.
What is the SMILES notation for 4-(4-fluorophenyl)-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The canonical SMILES for 4-(4-fluorophenyl)-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine is Nc1nc2n(n1)CCCN2c1ccc(F)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The InChIKey is UISWNFRECKKJBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN5/c12-8-2-4-9(5-3-8)16-6-1-7-17-11(16)14-10(13)15-17/h2-5H,1,6-7H2,(H2,13,15).
What are the key properties of 4-(4-fluorophenyl)-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
4-(4-fluorophenyl)-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine has a molecular weight of 233.25 g/mol, XLogP of 1.54, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine is sourced from PubChem (CID 175784233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).