(5R,7R)-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine

C12H12F3N5 — CID 135593793

IUPAC(5R,7R)-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
SMILESNc1nc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccccc1)N2
InChIInChI=1S/C12H12F3N5/c13-12(14,15)9-6-8(7-4-2-1-3-5-7)17-11-18-10(16)19-20(9)11/h1-5,8-9H,6H2,(H3,16,17,18,19)/t8-,9-/m1/s1
InChIKeyCMNFNILNSNFYQB-RKDXNWHRSA-N
MW283.26 g/mol
LogP2.52
Rot. Bonds1

About (5R,7R)-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine

(5R,7R)-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine (PubChem CID 135593793) has the molecular formula C12H12F3N5 and a molecular weight of 283.26 g/mol. Its IUPAC name is (5R,7R)-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine.

Molecular Properties

Compound Name(5R,7R)-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
PubChem CID135593793
Molecular FormulaC12H12F3N5
Molecular Weight283.26 g/mol
Exact Mass283.10
IUPAC Name(5R,7R)-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
SMILESNc1nc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccccc1)N2
InChIInChI=1S/C12H12F3N5/c13-12(14,15)9-6-8(7-4-2-1-3-5-7)17-11-18-10(16)19-20(9)11/h1-5,8-9H,6H2,(H3,16,17,18,19)/t8-,9-/m1/s1
InChIKeyCMNFNILNSNFYQB-RKDXNWHRSA-N
XLogP2.52
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.26
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5R,7R)-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The IUPAC name of (5R,7R)-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine (CID 135593793) is (5R,7R)-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine.
What is the SMILES notation for (5R,7R)-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The canonical SMILES for (5R,7R)-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine is Nc1nc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccccc1)N2.
What is the InChIKey of (5R,7R)-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The InChIKey is CMNFNILNSNFYQB-RKDXNWHRSA-N. The full InChI is InChI=1S/C12H12F3N5/c13-12(14,15)9-6-8(7-4-2-1-3-5-7)17-11-18-10(16)19-20(9)11/h1-5,8-9H,6H2,(H3,16,17,18,19)/t8-,9-/m1/s1.
What are the key properties of (5R,7R)-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
(5R,7R)-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine has a molecular weight of 283.26 g/mol, XLogP of 2.52, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,7R)-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine is sourced from PubChem (CID 135593793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).