3-ethyl-N-(3-fluorophenyl)triazolo[4,5-d]pyrimidin-7-amine

C12H11FN6 — CID 7584464

IUPAC3-ethyl-N-(3-fluorophenyl)triazolo[4,5-d]pyrimidin-7-amine
SMILESCCn1nnc2c(Nc3cccc(F)c3)ncnc21
InChIInChI=1S/C12H11FN6/c1-2-19-12-10(17-18-19)11(14-7-15-12)16-9-5-3-4-8(13)6-9/h3-7H,2H2,1H3,(H,14,15,16)
InChIKeyROJGPSQQDATPPR-UHFFFAOYSA-N
MW258.26 g/mol
LogP2.12
Rot. Bonds3

About 3-ethyl-N-(3-fluorophenyl)triazolo[4,5-d]pyrimidin-7-amine

3-ethyl-N-(3-fluorophenyl)triazolo[4,5-d]pyrimidin-7-amine (PubChem CID 7584464) has the molecular formula C12H11FN6 and a molecular weight of 258.26 g/mol. Its IUPAC name is 3-ethyl-N-(3-fluorophenyl)triazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound Name3-ethyl-N-(3-fluorophenyl)triazolo[4,5-d]pyrimidin-7-amine
PubChem CID7584464
Molecular FormulaC12H11FN6
Molecular Weight258.26 g/mol
Exact Mass258.10
IUPAC Name3-ethyl-N-(3-fluorophenyl)triazolo[4,5-d]pyrimidin-7-amine
SMILESCCn1nnc2c(Nc3cccc(F)c3)ncnc21
InChIInChI=1S/C12H11FN6/c1-2-19-12-10(17-18-19)11(14-7-15-12)16-9-5-3-4-8(13)6-9/h3-7H,2H2,1H3,(H,14,15,16)
InChIKeyROJGPSQQDATPPR-UHFFFAOYSA-N
XLogP2.12
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.26
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-ethyl-N-(3-fluorophenyl)triazolo[4,5-d]pyrimidin-7-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-ethyl-N-(3-methoxyphenyl)triazolo[4,5-d]pyrimidin-7-amine
CID 7584473
4-N-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)-1-N-phenylbenzene-1,4-diamine
CID 7584537
N-(2,5-difluorophenyl)-3-ethyltriazolo[4,5-d]pyrimidin-7-amine
CID 7584493
N-(4-bromo-3-methylphenyl)-3-ethyltriazolo[4,5-d]pyrimidin-7-amine
CID 7584515
N-(2,3-dimethylphenyl)-3-ethyltriazolo[4,5-d]pyrimidin-7-amine
CID 7584496
N-[4-[(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)amino]phenyl]acetamide
CID 7584534
N-(5-chloro-2-methylphenyl)-3-ethyltriazolo[4,5-d]pyrimidin-7-amine
CID 7584508
4-N-(3-fluorophenyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80760533
4-N-(3-fluorophenyl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80761354
3-[(4-methylphenyl)methyl]-N-(3-phenylmethoxyphenyl)triazolo[4,5-d]pyrimidin-7-amine
CID 158528573
3-ethyl-N-[(4-methoxyphenyl)methyl]triazolo[4,5-d]pyrimidin-7-amine
CID 7584420
1-(3,4-dimethylphenyl)-N-(3-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 17017608

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(3-fluorophenyl)triazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of 3-ethyl-N-(3-fluorophenyl)triazolo[4,5-d]pyrimidin-7-amine (CID 7584464) is 3-ethyl-N-(3-fluorophenyl)triazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for 3-ethyl-N-(3-fluorophenyl)triazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for 3-ethyl-N-(3-fluorophenyl)triazolo[4,5-d]pyrimidin-7-amine is CCn1nnc2c(Nc3cccc(F)c3)ncnc21.
What is the InChIKey of 3-ethyl-N-(3-fluorophenyl)triazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is ROJGPSQQDATPPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN6/c1-2-19-12-10(17-18-19)11(14-7-15-12)16-9-5-3-4-8(13)6-9/h3-7H,2H2,1H3,(H,14,15,16).
What are the key properties of 3-ethyl-N-(3-fluorophenyl)triazolo[4,5-d]pyrimidin-7-amine?
3-ethyl-N-(3-fluorophenyl)triazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 258.26 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(3-fluorophenyl)triazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 7584464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).