5-[1-(trifluoromethyl)cyclopropyl]-10-[(2R)-1,1,1-trifluoropropan-2-yl]-3,4,6,9,11-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraene

C14H13F6N5 — CID 167296102

IUPAC5-[1-(trifluoromethyl)cyclopropyl]-10-[(2R)-1,1,1-trifluoropropan-2-yl]-3,4,6,9,11-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraene
SMILESC[C@H](c1ncc2n1CCn1c-2nnc1C1(C(F)(F)F)CC1)C(F)(F)F
InChIInChI=1S/C14H13F6N5/c1-7(13(15,16)17)9-21-6-8-10-22-23-11(25(10)5-4-24(8)9)12(2-3-12)14(18,19)20/h6-7H,2-5H2,1H3/t7-/m1/s1
InChIKeyRNMFUJIHYJGOSN-SSDOTTSWSA-N
MW365.28 g/mol
LogP3.41
Rot. Bonds2

About 5-[1-(trifluoromethyl)cyclopropyl]-10-[(2R)-1,1,1-trifluoropropan-2-yl]-3,4,6,9,11-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraene

5-[1-(trifluoromethyl)cyclopropyl]-10-[(2R)-1,1,1-trifluoropropan-2-yl]-3,4,6,9,11-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraene (PubChem CID 167296102) has the molecular formula C14H13F6N5 and a molecular weight of 365.28 g/mol. Its IUPAC name is 5-[1-(trifluoromethyl)cyclopropyl]-10-[(2R)-1,1,1-trifluoropropan-2-yl]-3,4,6,9,11-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraene.

Molecular Properties

Compound Name5-[1-(trifluoromethyl)cyclopropyl]-10-[(2R)-1,1,1-trifluoropropan-2-yl]-3,4,6,9,11-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraene
PubChem CID167296102
Molecular FormulaC14H13F6N5
Molecular Weight365.28 g/mol
Exact Mass365.11
IUPAC Name5-[1-(trifluoromethyl)cyclopropyl]-10-[(2R)-1,1,1-trifluoropropan-2-yl]-3,4,6,9,11-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraene
SMILESC[C@H](c1ncc2n1CCn1c-2nnc1C1(C(F)(F)F)CC1)C(F)(F)F
InChIInChI=1S/C14H13F6N5/c1-7(13(15,16)17)9-21-6-8-10-22-23-11(25(10)5-4-24(8)9)12(2-3-12)14(18,19)20/h6-7H,2-5H2,1H3/t7-/m1/s1
InChIKeyRNMFUJIHYJGOSN-SSDOTTSWSA-N
XLogP3.41
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.28
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[1-(trifluoromethyl)cyclopropyl]-10-[(2R)-1,1,1-trifluoropropan-2-yl]-3,4,6,9,11-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraene 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 5-[1-(trifluoromethyl)cyclopropyl]-10-[(2R)-1,1,1-trifluoropropan-2-yl]-3,4,6,9,11-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraene?
The IUPAC name of 5-[1-(trifluoromethyl)cyclopropyl]-10-[(2R)-1,1,1-trifluoropropan-2-yl]-3,4,6,9,11-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraene (CID 167296102) is 5-[1-(trifluoromethyl)cyclopropyl]-10-[(2R)-1,1,1-trifluoropropan-2-yl]-3,4,6,9,11-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraene.
What is the SMILES notation for 5-[1-(trifluoromethyl)cyclopropyl]-10-[(2R)-1,1,1-trifluoropropan-2-yl]-3,4,6,9,11-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraene?
The canonical SMILES for 5-[1-(trifluoromethyl)cyclopropyl]-10-[(2R)-1,1,1-trifluoropropan-2-yl]-3,4,6,9,11-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraene is C[C@H](c1ncc2n1CCn1c-2nnc1C1(C(F)(F)F)CC1)C(F)(F)F.
What is the InChIKey of 5-[1-(trifluoromethyl)cyclopropyl]-10-[(2R)-1,1,1-trifluoropropan-2-yl]-3,4,6,9,11-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraene?
The InChIKey is RNMFUJIHYJGOSN-SSDOTTSWSA-N. The full InChI is InChI=1S/C14H13F6N5/c1-7(13(15,16)17)9-21-6-8-10-22-23-11(25(10)5-4-24(8)9)12(2-3-12)14(18,19)20/h6-7H,2-5H2,1H3/t7-/m1/s1.
What are the key properties of 5-[1-(trifluoromethyl)cyclopropyl]-10-[(2R)-1,1,1-trifluoropropan-2-yl]-3,4,6,9,11-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraene?
5-[1-(trifluoromethyl)cyclopropyl]-10-[(2R)-1,1,1-trifluoropropan-2-yl]-3,4,6,9,11-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraene has a molecular weight of 365.28 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(trifluoromethyl)cyclopropyl]-10-[(2R)-1,1,1-trifluoropropan-2-yl]-3,4,6,9,11-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraene is sourced from PubChem (CID 167296102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).