(7S)-5,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine

C17H15N5 — CID 684789

IUPAC(7S)-5,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
SMILESNc1nc2n(n1)[C@H](c1ccccc1)C=C(c1ccccc1)N2
InChIInChI=1S/C17H15N5/c18-16-20-17-19-14(12-7-3-1-4-8-12)11-15(22(17)21-16)13-9-5-2-6-10-13/h1-11,15H,(H3,18,19,20,21)/t15-/m0/s1
InChIKeyQKYHHLXVNDEUGA-HNNXBMFYSA-N
MW289.34 g/mol
LogP2.92
Rot. Bonds2

About (7S)-5,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine

(7S)-5,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine (PubChem CID 684789) has the molecular formula C17H15N5 and a molecular weight of 289.34 g/mol. Its IUPAC name is (7S)-5,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine.

Molecular Properties

Compound Name(7S)-5,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
PubChem CID684789
Molecular FormulaC17H15N5
Molecular Weight289.34 g/mol
Exact Mass289.13
IUPAC Name(7S)-5,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
SMILESNc1nc2n(n1)[C@H](c1ccccc1)C=C(c1ccccc1)N2
InChIInChI=1S/C17H15N5/c18-16-20-17-19-14(12-7-3-1-4-8-12)11-15(22(17)21-16)13-9-5-2-6-10-13/h1-11,15H,(H3,18,19,20,21)/t15-/m0/s1
InChIKeyQKYHHLXVNDEUGA-HNNXBMFYSA-N
XLogP2.92
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (7S)-5,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The IUPAC name of (7S)-5,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine (CID 684789) is (7S)-5,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine.
What is the SMILES notation for (7S)-5,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The canonical SMILES for (7S)-5,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine is Nc1nc2n(n1)[C@H](c1ccccc1)C=C(c1ccccc1)N2.
What is the InChIKey of (7S)-5,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The InChIKey is QKYHHLXVNDEUGA-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H15N5/c18-16-20-17-19-14(12-7-3-1-4-8-12)11-15(22(17)21-16)13-9-5-2-6-10-13/h1-11,15H,(H3,18,19,20,21)/t15-/m0/s1.
What are the key properties of (7S)-5,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
(7S)-5,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine has a molecular weight of 289.34 g/mol, XLogP of 2.92, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-5,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine is sourced from PubChem (CID 684789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).