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

C11H17FN4O — CID 126856230

IUPAC(3R,4S)-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-4-fluoro-N-methyloxolan-3-amine
SMILESCN(Cc1nnc2n1CCC2)[C@@H]1COC[C@H]1F
InChIInChI=1S/C11H17FN4O/c1-15(9-7-17-6-8(9)12)5-11-14-13-10-3-2-4-16(10)11/h8-9H,2-7H2,1H3/t8-,9-/m1/s1
InChIKeyGEABNOXVIWRJMB-RKDXNWHRSA-N
MW240.28 g/mol
LogP0.39
Rot. Bonds3

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

(3R,4S)-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-4-fluoro-N-methyloxolan-3-amine (PubChem CID 126856230) has the molecular formula C11H17FN4O and a molecular weight of 240.28 g/mol. Its IUPAC name is (3R,4S)-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-4-fluoro-N-methyloxolan-3-amine.

Molecular Properties

Compound Name(3R,4S)-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-4-fluoro-N-methyloxolan-3-amine
PubChem CID126856230
Molecular FormulaC11H17FN4O
Molecular Weight240.28 g/mol
Exact Mass240.14
IUPAC Name(3R,4S)-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-4-fluoro-N-methyloxolan-3-amine
SMILESCN(Cc1nnc2n1CCC2)[C@@H]1COC[C@H]1F
InChIInChI=1S/C11H17FN4O/c1-15(9-7-17-6-8(9)12)5-11-14-13-10-3-2-4-16(10)11/h8-9H,2-7H2,1H3/t8-,9-/m1/s1
InChIKeyGEABNOXVIWRJMB-RKDXNWHRSA-N
XLogP0.39
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 50.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Launch Full Analysis

Related Compounds

4-fluoro-N-methyl-N-[(4-methyl-4H-1,2,4-triazol-3-yl)methyl]oxolan-3-amine
CID 126856128
(3R,4S)-4-fluoro-N-methyl-N-[(4-methyl-4H-1,2,4-triazol-3-yl)methyl]oxolan-3-amine
CID 126856229
4-fluoro-N-({5H,6H,7H-pyrrolo[2,1-c][1,2,4]triazol-3-yl}methyl)oxolan-3-amine
CID 126856310
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
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]-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 (3R,4S)-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-4-fluoro-N-methyloxolan-3-amine?
The IUPAC name of (3R,4S)-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-4-fluoro-N-methyloxolan-3-amine (CID 126856230) is (3R,4S)-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-4-fluoro-N-methyloxolan-3-amine.
What is the SMILES notation for (3R,4S)-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-4-fluoro-N-methyloxolan-3-amine?
The canonical SMILES for (3R,4S)-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-4-fluoro-N-methyloxolan-3-amine is CN(Cc1nnc2n1CCC2)[C@@H]1COC[C@H]1F.
What is the InChIKey of (3R,4S)-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-4-fluoro-N-methyloxolan-3-amine?
The InChIKey is GEABNOXVIWRJMB-RKDXNWHRSA-N. The full InChI is InChI=1S/C11H17FN4O/c1-15(9-7-17-6-8(9)12)5-11-14-13-10-3-2-4-16(10)11/h8-9H,2-7H2,1H3/t8-,9-/m1/s1.
What are the key properties of (3R,4S)-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-4-fluoro-N-methyloxolan-3-amine?
(3R,4S)-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-4-fluoro-N-methyloxolan-3-amine has a molecular weight of 240.28 g/mol, XLogP of 0.39, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-4-fluoro-N-methyloxolan-3-amine is sourced from PubChem (CID 126856230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).