N-ethyl-N-[(3-fluorophenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C15H16FN5 — CID 18156188

IUPACN-ethyl-N-[(3-fluorophenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCN(Cc1cccc(F)c1)c1cc(C)nc2ncnn12
InChIInChI=1S/C15H16FN5/c1-3-20(9-12-5-4-6-13(16)8-12)14-7-11(2)19-15-17-10-18-21(14)15/h4-8,10H,3,9H2,1-2H3
InChIKeyCPTVSLIRRZMRLZ-UHFFFAOYSA-N
MW285.33 g/mol
LogP2.60
Rot. Bonds4

About N-ethyl-N-[(3-fluorophenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

N-ethyl-N-[(3-fluorophenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 18156188) has the molecular formula C15H16FN5 and a molecular weight of 285.33 g/mol. Its IUPAC name is N-ethyl-N-[(3-fluorophenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-ethyl-N-[(3-fluorophenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID18156188
Molecular FormulaC15H16FN5
Molecular Weight285.33 g/mol
Exact Mass285.14
IUPAC NameN-ethyl-N-[(3-fluorophenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCN(Cc1cccc(F)c1)c1cc(C)nc2ncnn12
InChIInChI=1S/C15H16FN5/c1-3-20(9-12-5-4-6-13(16)8-12)14-7-11(2)19-15-17-10-18-21(14)15/h4-8,10H,3,9H2,1-2H3
InChIKeyCPTVSLIRRZMRLZ-UHFFFAOYSA-N
XLogP2.60
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-ethyl-N-[(3-fluorophenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]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

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(3-fluorophenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-ethyl-N-[(3-fluorophenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 18156188) is N-ethyl-N-[(3-fluorophenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-ethyl-N-[(3-fluorophenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-ethyl-N-[(3-fluorophenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is CCN(Cc1cccc(F)c1)c1cc(C)nc2ncnn12.
What is the InChIKey of N-ethyl-N-[(3-fluorophenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is CPTVSLIRRZMRLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN5/c1-3-20(9-12-5-4-6-13(16)8-12)14-7-11(2)19-15-17-10-18-21(14)15/h4-8,10H,3,9H2,1-2H3.
What are the key properties of N-ethyl-N-[(3-fluorophenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-ethyl-N-[(3-fluorophenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 285.33 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(3-fluorophenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 18156188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).