2-(triazol-2-yl)-N-[(1S,2S)-2-[[5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]benzamide

C19H18F3N7O — CID 118308309

IUPAC2-(triazol-2-yl)-N-[(1S,2S)-2-[[5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]benzamide
SMILESO=C(N[C@H]1CCC[C@@H]1Nc1cnc(C(F)(F)F)cn1)c1ccccc1-n1nccn1
InChIInChI=1S/C19H18F3N7O/c20-19(21,22)16-10-24-17(11-23-16)27-13-5-3-6-14(13)28-18(30)12-4-1-2-7-15(12)29-25-8-9-26-29/h1-2,4,7-11,13-14H,3,5-6H2,(H,24,27)(H,28,30)/t13-,14-/m0/s1
InChIKeyWAXRXPQAVVNYLR-KBPBESRZSA-N
MW417.40 g/mol
LogP2.84
Rot. Bonds5

About 2-(triazol-2-yl)-N-[(1S,2S)-2-[[5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]benzamide

2-(triazol-2-yl)-N-[(1S,2S)-2-[[5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]benzamide (PubChem CID 118308309) has the molecular formula C19H18F3N7O and a molecular weight of 417.40 g/mol. Its IUPAC name is 2-(triazol-2-yl)-N-[(1S,2S)-2-[[5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]benzamide.

Molecular Properties

Compound Name2-(triazol-2-yl)-N-[(1S,2S)-2-[[5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]benzamide
PubChem CID118308309
Molecular FormulaC19H18F3N7O
Molecular Weight417.40 g/mol
Exact Mass417.15
IUPAC Name2-(triazol-2-yl)-N-[(1S,2S)-2-[[5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]benzamide
SMILESO=C(N[C@H]1CCC[C@@H]1Nc1cnc(C(F)(F)F)cn1)c1ccccc1-n1nccn1
InChIInChI=1S/C19H18F3N7O/c20-19(21,22)16-10-24-17(11-23-16)27-13-5-3-6-14(13)28-18(30)12-4-1-2-7-15(12)29-25-8-9-26-29/h1-2,4,7-11,13-14H,3,5-6H2,(H,24,27)(H,28,30)/t13-,14-/m0/s1
InChIKeyWAXRXPQAVVNYLR-KBPBESRZSA-N
XLogP2.84
TPSA97.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.40
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(triazol-2-yl)-N-[(1S,2S)-2-[[5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]benzamide?
The IUPAC name of 2-(triazol-2-yl)-N-[(1S,2S)-2-[[5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]benzamide (CID 118308309) is 2-(triazol-2-yl)-N-[(1S,2S)-2-[[5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]benzamide.
What is the SMILES notation for 2-(triazol-2-yl)-N-[(1S,2S)-2-[[5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]benzamide?
The canonical SMILES for 2-(triazol-2-yl)-N-[(1S,2S)-2-[[5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]benzamide is O=C(N[C@H]1CCC[C@@H]1Nc1cnc(C(F)(F)F)cn1)c1ccccc1-n1nccn1.
What is the InChIKey of 2-(triazol-2-yl)-N-[(1S,2S)-2-[[5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]benzamide?
The InChIKey is WAXRXPQAVVNYLR-KBPBESRZSA-N. The full InChI is InChI=1S/C19H18F3N7O/c20-19(21,22)16-10-24-17(11-23-16)27-13-5-3-6-14(13)28-18(30)12-4-1-2-7-15(12)29-25-8-9-26-29/h1-2,4,7-11,13-14H,3,5-6H2,(H,24,27)(H,28,30)/t13-,14-/m0/s1.
What are the key properties of 2-(triazol-2-yl)-N-[(1S,2S)-2-[[5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]benzamide?
2-(triazol-2-yl)-N-[(1S,2S)-2-[[5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]benzamide has a molecular weight of 417.40 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(triazol-2-yl)-N-[(1S,2S)-2-[[5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]benzamide is sourced from PubChem (CID 118308309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).