N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-6-ethyl-5-fluoropyrimidin-4-amine

C13H17FN6 — CID 75517705

IUPACN-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-6-ethyl-5-fluoropyrimidin-4-amine
SMILESCCc1ncnc(NC(C)c2nnc3n2CCC3)c1F
InChIInChI=1S/C13H17FN6/c1-3-9-11(14)12(16-7-15-9)17-8(2)13-19-18-10-5-4-6-20(10)13/h7-8H,3-6H2,1-2H3,(H,15,16,17)
InChIKeyAJTGYJFTQFFMNF-UHFFFAOYSA-N
MW276.32 g/mol
LogP1.89
Rot. Bonds4

About N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-6-ethyl-5-fluoropyrimidin-4-amine

N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-6-ethyl-5-fluoropyrimidin-4-amine (PubChem CID 75517705) has the molecular formula C13H17FN6 and a molecular weight of 276.32 g/mol. Its IUPAC name is N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-6-ethyl-5-fluoropyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-6-ethyl-5-fluoropyrimidin-4-amine
PubChem CID75517705
Molecular FormulaC13H17FN6
Molecular Weight276.32 g/mol
Exact Mass276.15
IUPAC NameN-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-6-ethyl-5-fluoropyrimidin-4-amine
SMILESCCc1ncnc(NC(C)c2nnc3n2CCC3)c1F
InChIInChI=1S/C13H17FN6/c1-3-9-11(14)12(16-7-15-9)17-8(2)13-19-18-10-5-4-6-20(10)13/h7-8H,3-6H2,1-2H3,(H,15,16,17)
InChIKeyAJTGYJFTQFFMNF-UHFFFAOYSA-N
XLogP1.89
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-6-ethyl-5-fluoropyrimidin-4-amine?
The IUPAC name of N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-6-ethyl-5-fluoropyrimidin-4-amine (CID 75517705) is N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-6-ethyl-5-fluoropyrimidin-4-amine.
What is the SMILES notation for N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-6-ethyl-5-fluoropyrimidin-4-amine?
The canonical SMILES for N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-6-ethyl-5-fluoropyrimidin-4-amine is CCc1ncnc(NC(C)c2nnc3n2CCC3)c1F.
What is the InChIKey of N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-6-ethyl-5-fluoropyrimidin-4-amine?
The InChIKey is AJTGYJFTQFFMNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN6/c1-3-9-11(14)12(16-7-15-9)17-8(2)13-19-18-10-5-4-6-20(10)13/h7-8H,3-6H2,1-2H3,(H,15,16,17).
What are the key properties of N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-6-ethyl-5-fluoropyrimidin-4-amine?
N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-6-ethyl-5-fluoropyrimidin-4-amine has a molecular weight of 276.32 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-6-ethyl-5-fluoropyrimidin-4-amine is sourced from PubChem (CID 75517705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).