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

3-(3-fluorophenyl)-N-[3-(1H-pyrazol-5-yl)phenyl]triazolo[4,5-d]pyrimidin-5-amine
CID 58691441
3-(3-fluorophenyl)-N-[3-(1-methyltetrazol-5-yl)phenyl]triazolo[4,5-d]pyrimidin-5-amine
CID 11372644
3-(3-fluorophenyl)-N-[4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]triazolo[4,5-d]pyrimidin-5-amine
CID 11363205
3-N-[3-(3,5-dimethoxyphenyl)triazolo[4,5-d]pyrimidin-5-yl]benzene-1,3-diamine
CID 70338594
(E)-3-[3-[[3-(3-methylphenyl)triazolo[4,5-d]pyrimidin-5-yl]amino]phenyl]prop-2-enoic acid
CID 70338306
2-[4-(5-anilinotriazolo[4,5-d]pyrimidin-3-yl)phenyl]ethanol
CID 11588006
2-N-(3-pyridin-3-ylphenyl)benzene-1,2-diamine
CID 155166401
3-[[3-(3,4,5-trimethoxyphenyl)triazolo[4,5-d]pyrimidin-5-yl]amino]benzenesulfonamide
CID 11662521
3-azulen-2-yl-N-cyclopentyltriazolo[4,5-d]pyrimidin-5-amine
CID 144695368
4-N-propan-2-yl-2-N-(3-pyridin-3-ylphenyl)pyrimidine-2,4-diamine
CID 131801163
N-(3-fluorophenyl)-6-(3-fluoro-4-pyridinyl)-5-pyridin-3-yl-1,2,4-triazin-3-amine
CID 146550074
4-N-[3-[3-[(1-cyclopropylethenylamino)methyl]phenyl]triazolo[4,5-d]pyrimidin-5-yl]benzene-1,4-diamine
CID 89336343

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).