3-(3-fluorophenyl)-N-(3-pyridin-3-ylphenyl)triazolo[4,5-d]pyrimidin-5-amine

C21H14FN7 — CID 58691451

IUPAC3-(3-fluorophenyl)-N-(3-pyridin-3-ylphenyl)triazolo[4,5-d]pyrimidin-5-amine
SMILESFc1cccc(-n2nnc3cnc(Nc4cccc(-c5cccnc5)c4)nc32)c1
InChIInChI=1S/C21H14FN7/c22-16-6-2-8-18(11-16)29-20-19(27-28-29)13-24-21(26-20)25-17-7-1-4-14(10-17)15-5-3-9-23-12-15/h1-13H,(H,24,25,26)
InChIKeyAPPAFDSBVOEHOD-UHFFFAOYSA-N
MW383.39 g/mol
LogP4.16
Rot. Bonds4

About 3-(3-fluorophenyl)-N-(3-pyridin-3-ylphenyl)triazolo[4,5-d]pyrimidin-5-amine

3-(3-fluorophenyl)-N-(3-pyridin-3-ylphenyl)triazolo[4,5-d]pyrimidin-5-amine (PubChem CID 58691451) has the molecular formula C21H14FN7 and a molecular weight of 383.39 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-N-(3-pyridin-3-ylphenyl)triazolo[4,5-d]pyrimidin-5-amine.

Molecular Properties

Compound Name3-(3-fluorophenyl)-N-(3-pyridin-3-ylphenyl)triazolo[4,5-d]pyrimidin-5-amine
PubChem CID58691451
Molecular FormulaC21H14FN7
Molecular Weight383.39 g/mol
Exact Mass383.13
IUPAC Name3-(3-fluorophenyl)-N-(3-pyridin-3-ylphenyl)triazolo[4,5-d]pyrimidin-5-amine
SMILESFc1cccc(-n2nnc3cnc(Nc4cccc(-c5cccnc5)c4)nc32)c1
InChIInChI=1S/C21H14FN7/c22-16-6-2-8-18(11-16)29-20-19(27-28-29)13-24-21(26-20)25-17-7-1-4-14(10-17)15-5-3-9-23-12-15/h1-13H,(H,24,25,26)
InChIKeyAPPAFDSBVOEHOD-UHFFFAOYSA-N
XLogP4.16
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.39
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 53262401
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CID 118981804
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CID 9798973
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CID 51371303
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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-N-(3-pyridin-3-ylphenyl)triazolo[4,5-d]pyrimidin-5-amine?
The IUPAC name of 3-(3-fluorophenyl)-N-(3-pyridin-3-ylphenyl)triazolo[4,5-d]pyrimidin-5-amine (CID 58691451) is 3-(3-fluorophenyl)-N-(3-pyridin-3-ylphenyl)triazolo[4,5-d]pyrimidin-5-amine.
What is the SMILES notation for 3-(3-fluorophenyl)-N-(3-pyridin-3-ylphenyl)triazolo[4,5-d]pyrimidin-5-amine?
The canonical SMILES for 3-(3-fluorophenyl)-N-(3-pyridin-3-ylphenyl)triazolo[4,5-d]pyrimidin-5-amine is Fc1cccc(-n2nnc3cnc(Nc4cccc(-c5cccnc5)c4)nc32)c1.
What is the InChIKey of 3-(3-fluorophenyl)-N-(3-pyridin-3-ylphenyl)triazolo[4,5-d]pyrimidin-5-amine?
The InChIKey is APPAFDSBVOEHOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14FN7/c22-16-6-2-8-18(11-16)29-20-19(27-28-29)13-24-21(26-20)25-17-7-1-4-14(10-17)15-5-3-9-23-12-15/h1-13H,(H,24,25,26).
What are the key properties of 3-(3-fluorophenyl)-N-(3-pyridin-3-ylphenyl)triazolo[4,5-d]pyrimidin-5-amine?
3-(3-fluorophenyl)-N-(3-pyridin-3-ylphenyl)triazolo[4,5-d]pyrimidin-5-amine has a molecular weight of 383.39 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-N-(3-pyridin-3-ylphenyl)triazolo[4,5-d]pyrimidin-5-amine is sourced from PubChem (CID 58691451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).