N-(2,5-difluorophenyl)-3-ethyltriazolo[4,5-d]pyrimidin-7-amine

C12H10F2N6 — CID 7584493

IUPACN-(2,5-difluorophenyl)-3-ethyltriazolo[4,5-d]pyrimidin-7-amine
SMILESCCn1nnc2c(Nc3cc(F)ccc3F)ncnc21
InChIInChI=1S/C12H10F2N6/c1-2-20-12-10(18-19-20)11(15-6-16-12)17-9-5-7(13)3-4-8(9)14/h3-6H,2H2,1H3,(H,15,16,17)
InChIKeyCVVOZRDNMUPEIV-UHFFFAOYSA-N
MW276.25 g/mol
LogP2.26
Rot. Bonds3

About N-(2,5-difluorophenyl)-3-ethyltriazolo[4,5-d]pyrimidin-7-amine

N-(2,5-difluorophenyl)-3-ethyltriazolo[4,5-d]pyrimidin-7-amine (PubChem CID 7584493) has the molecular formula C12H10F2N6 and a molecular weight of 276.25 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-3-ethyltriazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-3-ethyltriazolo[4,5-d]pyrimidin-7-amine
PubChem CID7584493
Molecular FormulaC12H10F2N6
Molecular Weight276.25 g/mol
Exact Mass276.09
IUPAC NameN-(2,5-difluorophenyl)-3-ethyltriazolo[4,5-d]pyrimidin-7-amine
SMILESCCn1nnc2c(Nc3cc(F)ccc3F)ncnc21
InChIInChI=1S/C12H10F2N6/c1-2-20-12-10(18-19-20)11(15-6-16-12)17-9-5-7(13)3-4-8(9)14/h3-6H,2H2,1H3,(H,15,16,17)
InChIKeyCVVOZRDNMUPEIV-UHFFFAOYSA-N
XLogP2.26
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.25
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluorophenyl)-3-ethyltriazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of N-(2,5-difluorophenyl)-3-ethyltriazolo[4,5-d]pyrimidin-7-amine (CID 7584493) is N-(2,5-difluorophenyl)-3-ethyltriazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for N-(2,5-difluorophenyl)-3-ethyltriazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for N-(2,5-difluorophenyl)-3-ethyltriazolo[4,5-d]pyrimidin-7-amine is CCn1nnc2c(Nc3cc(F)ccc3F)ncnc21.
What is the InChIKey of N-(2,5-difluorophenyl)-3-ethyltriazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is CVVOZRDNMUPEIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N6/c1-2-20-12-10(18-19-20)11(15-6-16-12)17-9-5-7(13)3-4-8(9)14/h3-6H,2H2,1H3,(H,15,16,17).
What are the key properties of N-(2,5-difluorophenyl)-3-ethyltriazolo[4,5-d]pyrimidin-7-amine?
N-(2,5-difluorophenyl)-3-ethyltriazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 276.25 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluorophenyl)-3-ethyltriazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 7584493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).