[(1R)-1-(2-fluoro-3-pyridinyl)ethyl] N-[5-(5-aminopyrazin-2-yl)-3-methyltriazol-4-yl]carbamate

C15H15FN8O2 — CID 162377613

IUPAC[(1R)-1-(2-fluoro-3-pyridinyl)ethyl] N-[5-(5-aminopyrazin-2-yl)-3-methyltriazol-4-yl]carbamate
SMILESC[C@@H](OC(=O)Nc1c(-c2cnc(N)cn2)nnn1C)c1cccnc1F
InChIInChI=1S/C15H15FN8O2/c1-8(9-4-3-5-18-13(9)16)26-15(25)21-14-12(22-23-24(14)2)10-6-20-11(17)7-19-10/h3-8H,1-2H3,(H2,17,20)(H,21,25)/t8-/m1/s1
InChIKeyQWMUEMIIMHOASF-MRVPVSSYSA-N
MW358.34 g/mol
LogP1.70
Rot. Bonds4

About [(1R)-1-(2-fluoro-3-pyridinyl)ethyl] N-[5-(5-aminopyrazin-2-yl)-3-methyltriazol-4-yl]carbamate

[(1R)-1-(2-fluoro-3-pyridinyl)ethyl] N-[5-(5-aminopyrazin-2-yl)-3-methyltriazol-4-yl]carbamate (PubChem CID 162377613) has the molecular formula C15H15FN8O2 and a molecular weight of 358.34 g/mol. Its IUPAC name is [(1R)-1-(2-fluoro-3-pyridinyl)ethyl] N-[5-(5-aminopyrazin-2-yl)-3-methyltriazol-4-yl]carbamate.

Molecular Properties

Compound Name[(1R)-1-(2-fluoro-3-pyridinyl)ethyl] N-[5-(5-aminopyrazin-2-yl)-3-methyltriazol-4-yl]carbamate
PubChem CID162377613
Molecular FormulaC15H15FN8O2
Molecular Weight358.34 g/mol
Exact Mass358.13
IUPAC Name[(1R)-1-(2-fluoro-3-pyridinyl)ethyl] N-[5-(5-aminopyrazin-2-yl)-3-methyltriazol-4-yl]carbamate
SMILESC[C@@H](OC(=O)Nc1c(-c2cnc(N)cn2)nnn1C)c1cccnc1F
InChIInChI=1S/C15H15FN8O2/c1-8(9-4-3-5-18-13(9)16)26-15(25)21-14-12(22-23-24(14)2)10-6-20-11(17)7-19-10/h3-8H,1-2H3,(H2,17,20)(H,21,25)/t8-/m1/s1
InChIKeyQWMUEMIIMHOASF-MRVPVSSYSA-N
XLogP1.70
TPSA133.73 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.34
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(2-fluoro-3-pyridinyl)ethyl] N-[5-(5-aminopyrazin-2-yl)-3-methyltriazol-4-yl]carbamate?
The IUPAC name of [(1R)-1-(2-fluoro-3-pyridinyl)ethyl] N-[5-(5-aminopyrazin-2-yl)-3-methyltriazol-4-yl]carbamate (CID 162377613) is [(1R)-1-(2-fluoro-3-pyridinyl)ethyl] N-[5-(5-aminopyrazin-2-yl)-3-methyltriazol-4-yl]carbamate.
What is the SMILES notation for [(1R)-1-(2-fluoro-3-pyridinyl)ethyl] N-[5-(5-aminopyrazin-2-yl)-3-methyltriazol-4-yl]carbamate?
The canonical SMILES for [(1R)-1-(2-fluoro-3-pyridinyl)ethyl] N-[5-(5-aminopyrazin-2-yl)-3-methyltriazol-4-yl]carbamate is C[C@@H](OC(=O)Nc1c(-c2cnc(N)cn2)nnn1C)c1cccnc1F.
What is the InChIKey of [(1R)-1-(2-fluoro-3-pyridinyl)ethyl] N-[5-(5-aminopyrazin-2-yl)-3-methyltriazol-4-yl]carbamate?
The InChIKey is QWMUEMIIMHOASF-MRVPVSSYSA-N. The full InChI is InChI=1S/C15H15FN8O2/c1-8(9-4-3-5-18-13(9)16)26-15(25)21-14-12(22-23-24(14)2)10-6-20-11(17)7-19-10/h3-8H,1-2H3,(H2,17,20)(H,21,25)/t8-/m1/s1.
What are the key properties of [(1R)-1-(2-fluoro-3-pyridinyl)ethyl] N-[5-(5-aminopyrazin-2-yl)-3-methyltriazol-4-yl]carbamate?
[(1R)-1-(2-fluoro-3-pyridinyl)ethyl] N-[5-(5-aminopyrazin-2-yl)-3-methyltriazol-4-yl]carbamate has a molecular weight of 358.34 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(2-fluoro-3-pyridinyl)ethyl] N-[5-(5-aminopyrazin-2-yl)-3-methyltriazol-4-yl]carbamate is sourced from PubChem (CID 162377613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).