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

C18H20FN5O — CID 133346764

IUPACN-[cyclopropyl-(4-fluorophenyl)methyl]-5-(methoxymethyl)-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCOCc1cc(N(C)C(c2ccc(F)cc2)C2CC2)n2ncnc2n1
InChIInChI=1S/C18H20FN5O/c1-23(17(12-3-4-12)13-5-7-14(19)8-6-13)16-9-15(10-25-2)22-18-20-11-21-24(16)18/h5-9,11-12,17H,3-4,10H2,1-2H3
InChIKeyFRKPJQJWAIYUMN-UHFFFAOYSA-N
MW341.39 g/mol
LogP3.00
Rot. Bonds6

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

N-[cyclopropyl-(4-fluorophenyl)methyl]-5-(methoxymethyl)-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 133346764) has the molecular formula C18H20FN5O and a molecular weight of 341.39 g/mol. Its IUPAC name is N-[cyclopropyl-(4-fluorophenyl)methyl]-5-(methoxymethyl)-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[cyclopropyl-(4-fluorophenyl)methyl]-5-(methoxymethyl)-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID133346764
Molecular FormulaC18H20FN5O
Molecular Weight341.39 g/mol
Exact Mass341.17
IUPAC NameN-[cyclopropyl-(4-fluorophenyl)methyl]-5-(methoxymethyl)-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCOCc1cc(N(C)C(c2ccc(F)cc2)C2CC2)n2ncnc2n1
InChIInChI=1S/C18H20FN5O/c1-23(17(12-3-4-12)13-5-7-14(19)8-6-13)16-9-15(10-25-2)22-18-20-11-21-24(16)18/h5-9,11-12,17H,3-4,10H2,1-2H3
InChIKeyFRKPJQJWAIYUMN-UHFFFAOYSA-N
XLogP3.00
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[cyclopropyl-(4-fluorophenyl)methyl]-5-(methoxymethyl)-N-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

Related Compounds

5-(methoxymethyl)-N-methyl-N-(1-thiophen-3-ylpropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133356711
N-[(4-chloro-3-fluorophenyl)methyl]-5-(methoxymethyl)-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133431042
(1S)-1-(4-fluorophenyl)-2-[methyl-(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethanol
CID 95152326
2-(4-fluorophenyl)-4-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-6-methylmorpholine
CID 133330365
N-[(1R,3R)-2,2-dimethyl-3-phenoxycyclobutyl]-5-(methoxymethyl)-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 124886119
1-(2,6-difluorophenyl)-N'-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-N,N-dimethylethane-1,2-diamine
CID 133314695
5-(methoxymethyl)-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 130626781
5-(methoxymethyl)-N-(2-phenyloxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133474303
5-(methoxymethyl)-7-(2-pentan-2-ylpyrrolidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 133377071
N-[2-(2,4-difluorophenyl)ethyl]-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133302351
5-ethyl-7-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 133422121
3-fluoro-4-[3-[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]piperidin-1-yl]benzonitrile
CID 133296323

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-(4-fluorophenyl)methyl]-5-(methoxymethyl)-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[cyclopropyl-(4-fluorophenyl)methyl]-5-(methoxymethyl)-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 133346764) is N-[cyclopropyl-(4-fluorophenyl)methyl]-5-(methoxymethyl)-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[cyclopropyl-(4-fluorophenyl)methyl]-5-(methoxymethyl)-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[cyclopropyl-(4-fluorophenyl)methyl]-5-(methoxymethyl)-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is COCc1cc(N(C)C(c2ccc(F)cc2)C2CC2)n2ncnc2n1.
What is the InChIKey of N-[cyclopropyl-(4-fluorophenyl)methyl]-5-(methoxymethyl)-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is FRKPJQJWAIYUMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN5O/c1-23(17(12-3-4-12)13-5-7-14(19)8-6-13)16-9-15(10-25-2)22-18-20-11-21-24(16)18/h5-9,11-12,17H,3-4,10H2,1-2H3.
What are the key properties of N-[cyclopropyl-(4-fluorophenyl)methyl]-5-(methoxymethyl)-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-[cyclopropyl-(4-fluorophenyl)methyl]-5-(methoxymethyl)-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 341.39 g/mol, XLogP of 3.00, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-(4-fluorophenyl)methyl]-5-(methoxymethyl)-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 133346764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).