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

C10H15FN4O — CID 126856310

IUPACN-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-4-fluorooxolan-3-amine
SMILESFC1COCC1NCc1nnc2n1CCC2
InChIInChI=1S/C10H15FN4O/c11-7-5-16-6-8(7)12-4-10-14-13-9-2-1-3-15(9)10/h7-8,12H,1-6H2
InChIKeyHZGGUBLQJNBYCC-UHFFFAOYSA-N
MW226.25 g/mol
LogP0.05
Rot. Bonds3

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

N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-4-fluorooxolan-3-amine (PubChem CID 126856310) has the molecular formula C10H15FN4O and a molecular weight of 226.25 g/mol. Its IUPAC name is N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-4-fluorooxolan-3-amine.

Molecular Properties

Compound NameN-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-4-fluorooxolan-3-amine
PubChem CID126856310
Molecular FormulaC10H15FN4O
Molecular Weight226.25 g/mol
Exact Mass226.12
IUPAC NameN-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-4-fluorooxolan-3-amine
SMILESFC1COCC1NCc1nnc2n1CCC2
InChIInChI=1S/C10H15FN4O/c11-7-5-16-6-8(7)12-4-10-14-13-9-2-1-3-15(9)10/h7-8,12H,1-6H2
InChIKeyHZGGUBLQJNBYCC-UHFFFAOYSA-N
XLogP0.05
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

(3R,4S)-4-fluoro-N-methyl-N-({5H,6H,7H-pyrrolo[2,1-c][1,2,4]triazol-3-yl}methyl)oxolan-3-amine
CID 126856230
2-fluoro-N-({5H,6H,7H-pyrrolo[2,1-c][1,2,4]triazol-3-yl}methyl)oxan-3-amine
CID 126857078
3-(4-methoxypyrrolidin-2-yl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
CID 43142771
N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]oxan-4-amine
CID 43748052
1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-N-(oxolan-3-ylmethyl)ethanamine
CID 43748172
N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-4-methoxybutan-2-amine
CID 61871907
1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-3-methoxypropan-1-amine
CID 62479849
N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-1-methoxypropan-2-amine
CID 62535280
N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]oxolan-3-amine
CID 63335690
N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]oxan-3-amine
CID 64175795
N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-1-methoxybutan-2-amine
CID 64397232
3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)oxolan-3-amine
CID 64889786

Frequently Asked Questions

What is the IUPAC name of N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-4-fluorooxolan-3-amine?
The IUPAC name of N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-4-fluorooxolan-3-amine (CID 126856310) is N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-4-fluorooxolan-3-amine.
What is the SMILES notation for N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-4-fluorooxolan-3-amine?
The canonical SMILES for N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-4-fluorooxolan-3-amine is FC1COCC1NCc1nnc2n1CCC2.
What is the InChIKey of N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-4-fluorooxolan-3-amine?
The InChIKey is HZGGUBLQJNBYCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN4O/c11-7-5-16-6-8(7)12-4-10-14-13-9-2-1-3-15(9)10/h7-8,12H,1-6H2.
What are the key properties of N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-4-fluorooxolan-3-amine?
N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-4-fluorooxolan-3-amine has a molecular weight of 226.25 g/mol, XLogP of 0.05, 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)-4-fluorooxolan-3-amine is sourced from PubChem (CID 126856310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).