3-[(2-fluorophenyl)methyl]-7-(1,3-oxazol-2-yl)triazolo[4,5-d]pyrimidin-5-amine

C14H10FN7O — CID 25188209

IUPAC3-[(2-fluorophenyl)methyl]-7-(1,3-oxazol-2-yl)triazolo[4,5-d]pyrimidin-5-amine
SMILESNc1nc(-c2ncco2)c2nnn(Cc3ccccc3F)c2n1
InChIInChI=1S/C14H10FN7O/c15-9-4-2-1-3-8(9)7-22-12-10(20-21-22)11(18-14(16)19-12)13-17-5-6-23-13/h1-6H,7H2,(H2,16,18,19)
InChIKeyYKXAXNRPKPCUCH-UHFFFAOYSA-N
MW311.28 g/mol
LogP1.65
Rot. Bonds3

About 3-[(2-fluorophenyl)methyl]-7-(1,3-oxazol-2-yl)triazolo[4,5-d]pyrimidin-5-amine

3-[(2-fluorophenyl)methyl]-7-(1,3-oxazol-2-yl)triazolo[4,5-d]pyrimidin-5-amine (PubChem CID 25188209) has the molecular formula C14H10FN7O and a molecular weight of 311.28 g/mol. Its IUPAC name is 3-[(2-fluorophenyl)methyl]-7-(1,3-oxazol-2-yl)triazolo[4,5-d]pyrimidin-5-amine.

Molecular Properties

Compound Name3-[(2-fluorophenyl)methyl]-7-(1,3-oxazol-2-yl)triazolo[4,5-d]pyrimidin-5-amine
PubChem CID25188209
Molecular FormulaC14H10FN7O
Molecular Weight311.28 g/mol
Exact Mass311.09
IUPAC Name3-[(2-fluorophenyl)methyl]-7-(1,3-oxazol-2-yl)triazolo[4,5-d]pyrimidin-5-amine
SMILESNc1nc(-c2ncco2)c2nnn(Cc3ccccc3F)c2n1
InChIInChI=1S/C14H10FN7O/c15-9-4-2-1-3-8(9)7-22-12-10(20-21-22)11(18-14(16)19-12)13-17-5-6-23-13/h1-6H,7H2,(H2,16,18,19)
InChIKeyYKXAXNRPKPCUCH-UHFFFAOYSA-N
XLogP1.65
TPSA108.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.28
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorophenyl)methyl]-7-(1,3-oxazol-2-yl)triazolo[4,5-d]pyrimidin-5-amine?
The IUPAC name of 3-[(2-fluorophenyl)methyl]-7-(1,3-oxazol-2-yl)triazolo[4,5-d]pyrimidin-5-amine (CID 25188209) is 3-[(2-fluorophenyl)methyl]-7-(1,3-oxazol-2-yl)triazolo[4,5-d]pyrimidin-5-amine.
What is the SMILES notation for 3-[(2-fluorophenyl)methyl]-7-(1,3-oxazol-2-yl)triazolo[4,5-d]pyrimidin-5-amine?
The canonical SMILES for 3-[(2-fluorophenyl)methyl]-7-(1,3-oxazol-2-yl)triazolo[4,5-d]pyrimidin-5-amine is Nc1nc(-c2ncco2)c2nnn(Cc3ccccc3F)c2n1.
What is the InChIKey of 3-[(2-fluorophenyl)methyl]-7-(1,3-oxazol-2-yl)triazolo[4,5-d]pyrimidin-5-amine?
The InChIKey is YKXAXNRPKPCUCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN7O/c15-9-4-2-1-3-8(9)7-22-12-10(20-21-22)11(18-14(16)19-12)13-17-5-6-23-13/h1-6H,7H2,(H2,16,18,19).
What are the key properties of 3-[(2-fluorophenyl)methyl]-7-(1,3-oxazol-2-yl)triazolo[4,5-d]pyrimidin-5-amine?
3-[(2-fluorophenyl)methyl]-7-(1,3-oxazol-2-yl)triazolo[4,5-d]pyrimidin-5-amine has a molecular weight of 311.28 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluorophenyl)methyl]-7-(1,3-oxazol-2-yl)triazolo[4,5-d]pyrimidin-5-amine is sourced from PubChem (CID 25188209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).