N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C17H16FN7O — CID 133274366

IUPACN-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCOCc1cc(NCc2ccc(-n3ccnc3)c(F)c2)n2ncnc2n1
InChIInChI=1S/C17H16FN7O/c1-26-9-13-7-16(25-17(23-13)21-10-22-25)20-8-12-2-3-15(14(18)6-12)24-5-4-19-11-24/h2-7,10-11,20H,8-9H2,1H3
InChIKeyHROGNYORTFEMPU-UHFFFAOYSA-N
MW353.36 g/mol
LogP2.21
Rot. Bonds6

About N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 133274366) has the molecular formula C17H16FN7O and a molecular weight of 353.36 g/mol. Its IUPAC name is N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID133274366
Molecular FormulaC17H16FN7O
Molecular Weight353.36 g/mol
Exact Mass353.14
IUPAC NameN-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCOCc1cc(NCc2ccc(-n3ccnc3)c(F)c2)n2ncnc2n1
InChIInChI=1S/C17H16FN7O/c1-26-9-13-7-16(25-17(23-13)21-10-22-25)20-8-12-2-3-15(14(18)6-12)24-5-4-19-11-24/h2-7,10-11,20H,8-9H2,1H3
InChIKeyHROGNYORTFEMPU-UHFFFAOYSA-N
XLogP2.21
TPSA82.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.36
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 145221185
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]pyrimidin-2-amine
CID 47406236
N-[2-(2,4-difluorophenyl)ethyl]-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133302351
N'-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]ethane-1,2-diamine
CID 16767887
N-[(1-cyclopentylpyrazol-3-yl)methyl]-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133386099
5-(methoxymethyl)-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 130626781
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-4-phenylaniline
CID 166247503
N-[2-(2,4-difluorophenoxy)ethyl]-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133291686
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-[(1-methylcyclopentyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133293719
1-[[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]methyl]cyclopentan-1-ol
CID 133271945
O-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]hydroxylamine
CID 117295563

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 133274366) is N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is COCc1cc(NCc2ccc(-n3ccnc3)c(F)c2)n2ncnc2n1.
What is the InChIKey of N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is HROGNYORTFEMPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN7O/c1-26-9-13-7-16(25-17(23-13)21-10-22-25)20-8-12-2-3-15(14(18)6-12)24-5-4-19-11-24/h2-7,10-11,20H,8-9H2,1H3.
What are the key properties of N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 353.36 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 133274366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).