[(1S,2S)-2-[[3-methyl-5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]carbamic acid

C12H15F3N4O2 — CID 118308091

IUPAC[(1S,2S)-2-[[3-methyl-5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]carbamic acid
SMILESCc1nc(C(F)(F)F)cnc1N[C@H]1CCC[C@@H]1NC(=O)O
InChIInChI=1S/C12H15F3N4O2/c1-6-10(16-5-9(17-6)12(13,14)15)18-7-3-2-4-8(7)19-11(20)21/h5,7-8,19H,2-4H2,1H3,(H,16,18)(H,20,21)/t7-,8-/m0/s1
InChIKeyNYRPMMHNSDZKFH-YUMQZZPRSA-N
MW304.27 g/mol
LogP2.40
Rot. Bonds3

About [(1S,2S)-2-[[3-methyl-5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]carbamic acid

[(1S,2S)-2-[[3-methyl-5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]carbamic acid (PubChem CID 118308091) has the molecular formula C12H15F3N4O2 and a molecular weight of 304.27 g/mol. Its IUPAC name is [(1S,2S)-2-[[3-methyl-5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]carbamic acid.

Molecular Properties

Compound Name[(1S,2S)-2-[[3-methyl-5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]carbamic acid
PubChem CID118308091
Molecular FormulaC12H15F3N4O2
Molecular Weight304.27 g/mol
Exact Mass304.11
IUPAC Name[(1S,2S)-2-[[3-methyl-5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]carbamic acid
SMILESCc1nc(C(F)(F)F)cnc1N[C@H]1CCC[C@@H]1NC(=O)O
InChIInChI=1S/C12H15F3N4O2/c1-6-10(16-5-9(17-6)12(13,14)15)18-7-3-2-4-8(7)19-11(20)21/h5,7-8,19H,2-4H2,1H3,(H,16,18)(H,20,21)/t7-,8-/m0/s1
InChIKeyNYRPMMHNSDZKFH-YUMQZZPRSA-N
XLogP2.40
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze [(1S,2S)-2-[[3-methyl-5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]carbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(1S,2S)-2-[[3-methyl-5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]carbamic acid?
The IUPAC name of [(1S,2S)-2-[[3-methyl-5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]carbamic acid (CID 118308091) is [(1S,2S)-2-[[3-methyl-5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]carbamic acid.
What is the SMILES notation for [(1S,2S)-2-[[3-methyl-5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]carbamic acid?
The canonical SMILES for [(1S,2S)-2-[[3-methyl-5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]carbamic acid is Cc1nc(C(F)(F)F)cnc1N[C@H]1CCC[C@@H]1NC(=O)O.
What is the InChIKey of [(1S,2S)-2-[[3-methyl-5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]carbamic acid?
The InChIKey is NYRPMMHNSDZKFH-YUMQZZPRSA-N. The full InChI is InChI=1S/C12H15F3N4O2/c1-6-10(16-5-9(17-6)12(13,14)15)18-7-3-2-4-8(7)19-11(20)21/h5,7-8,19H,2-4H2,1H3,(H,16,18)(H,20,21)/t7-,8-/m0/s1.
What are the key properties of [(1S,2S)-2-[[3-methyl-5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]carbamic acid?
[(1S,2S)-2-[[3-methyl-5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]carbamic acid has a molecular weight of 304.27 g/mol, XLogP of 2.40, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S)-2-[[3-methyl-5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]carbamic acid is sourced from PubChem (CID 118308091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).