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

C11H17FN4O — CID 126857078

IUPACN-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-2-fluorooxan-3-amine
SMILESFC1OCCCC1NCc1nnc2n1CCC2
InChIInChI=1S/C11H17FN4O/c12-11-8(3-2-6-17-11)13-7-10-15-14-9-4-1-5-16(9)10/h8,11,13H,1-7H2
InChIKeyAZXSSPRYVUOFMR-UHFFFAOYSA-N
MW240.28 g/mol
LogP0.79
Rot. Bonds3

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

N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-2-fluorooxan-3-amine (PubChem CID 126857078) has the molecular formula C11H17FN4O and a molecular weight of 240.28 g/mol. Its IUPAC name is N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-2-fluorooxan-3-amine.

Molecular Properties

Compound NameN-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-2-fluorooxan-3-amine
PubChem CID126857078
Molecular FormulaC11H17FN4O
Molecular Weight240.28 g/mol
Exact Mass240.14
IUPAC NameN-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-2-fluorooxan-3-amine
SMILESFC1OCCCC1NCc1nnc2n1CCC2
InChIInChI=1S/C11H17FN4O/c12-11-8(3-2-6-17-11)13-7-10-15-14-9-4-1-5-16(9)10/h8,11,13H,1-7H2
InChIKeyAZXSSPRYVUOFMR-UHFFFAOYSA-N
XLogP0.79
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-2-fluorooxan-3-amine?
The IUPAC name of N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-2-fluorooxan-3-amine (CID 126857078) is N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-2-fluorooxan-3-amine.
What is the SMILES notation for N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-2-fluorooxan-3-amine?
The canonical SMILES for N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-2-fluorooxan-3-amine is FC1OCCCC1NCc1nnc2n1CCC2.
What is the InChIKey of N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-2-fluorooxan-3-amine?
The InChIKey is AZXSSPRYVUOFMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN4O/c12-11-8(3-2-6-17-11)13-7-10-15-14-9-4-1-5-16(9)10/h8,11,13H,1-7H2.
What are the key properties of N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-2-fluorooxan-3-amine?
N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-2-fluorooxan-3-amine has a molecular weight of 240.28 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-2-fluorooxan-3-amine is sourced from PubChem (CID 126857078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).