(5R,7R)-7-fluoro-N,N-dimethyl-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-2-carboxamide

C14H15FN4O — CID 134563884

IUPAC(5R,7R)-7-fluoro-N,N-dimethyl-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-2-carboxamide
SMILESCN(C)C(=O)c1nc2n(n1)[C@@H](c1ccccc1)C[C@H]2F
InChIInChI=1S/C14H15FN4O/c1-18(2)14(20)12-16-13-10(15)8-11(19(13)17-12)9-6-4-3-5-7-9/h3-7,10-11H,8H2,1-2H3/t10-,11-/m1/s1
InChIKeyIRHLAWZOMFMTFG-GHMZBOCLSA-N
MW274.30 g/mol
LogP1.98
Rot. Bonds2

About (5R,7R)-7-fluoro-N,N-dimethyl-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-2-carboxamide

(5R,7R)-7-fluoro-N,N-dimethyl-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-2-carboxamide (PubChem CID 134563884) has the molecular formula C14H15FN4O and a molecular weight of 274.30 g/mol. Its IUPAC name is (5R,7R)-7-fluoro-N,N-dimethyl-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-2-carboxamide.

Molecular Properties

Compound Name(5R,7R)-7-fluoro-N,N-dimethyl-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-2-carboxamide
PubChem CID134563884
Molecular FormulaC14H15FN4O
Molecular Weight274.30 g/mol
Exact Mass274.12
IUPAC Name(5R,7R)-7-fluoro-N,N-dimethyl-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-2-carboxamide
SMILESCN(C)C(=O)c1nc2n(n1)[C@@H](c1ccccc1)C[C@H]2F
InChIInChI=1S/C14H15FN4O/c1-18(2)14(20)12-16-13-10(15)8-11(19(13)17-12)9-6-4-3-5-7-9/h3-7,10-11H,8H2,1-2H3/t10-,11-/m1/s1
InChIKeyIRHLAWZOMFMTFG-GHMZBOCLSA-N
XLogP1.98
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5R,7R)-7-fluoro-N,N-dimethyl-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-2-carboxamide?
The IUPAC name of (5R,7R)-7-fluoro-N,N-dimethyl-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-2-carboxamide (CID 134563884) is (5R,7R)-7-fluoro-N,N-dimethyl-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-2-carboxamide.
What is the SMILES notation for (5R,7R)-7-fluoro-N,N-dimethyl-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-2-carboxamide?
The canonical SMILES for (5R,7R)-7-fluoro-N,N-dimethyl-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-2-carboxamide is CN(C)C(=O)c1nc2n(n1)[C@@H](c1ccccc1)C[C@H]2F.
What is the InChIKey of (5R,7R)-7-fluoro-N,N-dimethyl-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-2-carboxamide?
The InChIKey is IRHLAWZOMFMTFG-GHMZBOCLSA-N. The full InChI is InChI=1S/C14H15FN4O/c1-18(2)14(20)12-16-13-10(15)8-11(19(13)17-12)9-6-4-3-5-7-9/h3-7,10-11H,8H2,1-2H3/t10-,11-/m1/s1.
What are the key properties of (5R,7R)-7-fluoro-N,N-dimethyl-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-2-carboxamide?
(5R,7R)-7-fluoro-N,N-dimethyl-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-2-carboxamide has a molecular weight of 274.30 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,7R)-7-fluoro-N,N-dimethyl-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-2-carboxamide is sourced from PubChem (CID 134563884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).