[(2S,4R)-1-(5,6-diethyl-1,2,4-triazin-3-yl)-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone

C16H24FN5O2 — CID 120929244

IUPAC[(2S,4R)-1-(5,6-diethyl-1,2,4-triazin-3-yl)-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone
SMILESCCc1nnc(N2C[C@H](F)C[C@H]2C(=O)N2CCOCC2)nc1CC
InChIInChI=1S/C16H24FN5O2/c1-3-12-13(4-2)19-20-16(18-12)22-10-11(17)9-14(22)15(23)21-5-7-24-8-6-21/h11,14H,3-10H2,1-2H3/t11-,14+/m1/s1
InChIKeyCYHJLTFZXGUVSN-RISCZKNCSA-N
MW337.40 g/mol
LogP0.77
Rot. Bonds4

About [(2S,4R)-1-(5,6-diethyl-1,2,4-triazin-3-yl)-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone

[(2S,4R)-1-(5,6-diethyl-1,2,4-triazin-3-yl)-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone (PubChem CID 120929244) has the molecular formula C16H24FN5O2 and a molecular weight of 337.40 g/mol. Its IUPAC name is [(2S,4R)-1-(5,6-diethyl-1,2,4-triazin-3-yl)-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[(2S,4R)-1-(5,6-diethyl-1,2,4-triazin-3-yl)-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone
PubChem CID120929244
Molecular FormulaC16H24FN5O2
Molecular Weight337.40 g/mol
Exact Mass337.19
IUPAC Name[(2S,4R)-1-(5,6-diethyl-1,2,4-triazin-3-yl)-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone
SMILESCCc1nnc(N2C[C@H](F)C[C@H]2C(=O)N2CCOCC2)nc1CC
InChIInChI=1S/C16H24FN5O2/c1-3-12-13(4-2)19-20-16(18-12)22-10-11(17)9-14(22)15(23)21-5-7-24-8-6-21/h11,14H,3-10H2,1-2H3/t11-,14+/m1/s1
InChIKeyCYHJLTFZXGUVSN-RISCZKNCSA-N
XLogP0.77
TPSA71.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(2S,4R)-1-(5,6-diethyl-1,2,4-triazin-3-yl)-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [(2S,4R)-1-(5,6-diethyl-1,2,4-triazin-3-yl)-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone (CID 120929244) is [(2S,4R)-1-(5,6-diethyl-1,2,4-triazin-3-yl)-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [(2S,4R)-1-(5,6-diethyl-1,2,4-triazin-3-yl)-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [(2S,4R)-1-(5,6-diethyl-1,2,4-triazin-3-yl)-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone is CCc1nnc(N2C[C@H](F)C[C@H]2C(=O)N2CCOCC2)nc1CC.
What is the InChIKey of [(2S,4R)-1-(5,6-diethyl-1,2,4-triazin-3-yl)-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone?
The InChIKey is CYHJLTFZXGUVSN-RISCZKNCSA-N. The full InChI is InChI=1S/C16H24FN5O2/c1-3-12-13(4-2)19-20-16(18-12)22-10-11(17)9-14(22)15(23)21-5-7-24-8-6-21/h11,14H,3-10H2,1-2H3/t11-,14+/m1/s1.
What are the key properties of [(2S,4R)-1-(5,6-diethyl-1,2,4-triazin-3-yl)-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone?
[(2S,4R)-1-(5,6-diethyl-1,2,4-triazin-3-yl)-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone has a molecular weight of 337.40 g/mol, XLogP of 0.77, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4R)-1-(5,6-diethyl-1,2,4-triazin-3-yl)-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 120929244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).