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

C19H15F2N5O — CID 133278063

IUPACN-[[3-(difluoromethoxy)phenyl]methyl]-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESFC(F)Oc1cccc(CNc2cc(-c3ccccc3)nc3ncnn23)c1
InChIInChI=1S/C19H15F2N5O/c20-18(21)27-15-8-4-5-13(9-15)11-22-17-10-16(14-6-2-1-3-7-14)25-19-23-12-24-26(17)19/h1-10,12,18,22H,11H2
InChIKeyNINIAKDGWCTVOT-UHFFFAOYSA-N
MW367.36 g/mol
LogP4.00
Rot. Bonds6

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

N-[[3-(difluoromethoxy)phenyl]methyl]-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 133278063) has the molecular formula C19H15F2N5O and a molecular weight of 367.36 g/mol. Its IUPAC name is N-[[3-(difluoromethoxy)phenyl]methyl]-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[[3-(difluoromethoxy)phenyl]methyl]-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID133278063
Molecular FormulaC19H15F2N5O
Molecular Weight367.36 g/mol
Exact Mass367.12
IUPAC NameN-[[3-(difluoromethoxy)phenyl]methyl]-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESFC(F)Oc1cccc(CNc2cc(-c3ccccc3)nc3ncnn23)c1
InChIInChI=1S/C19H15F2N5O/c20-18(21)27-15-8-4-5-13(9-15)11-22-17-10-16(14-6-2-1-3-7-14)25-19-23-12-24-26(17)19/h1-10,12,18,22H,11H2
InChIKeyNINIAKDGWCTVOT-UHFFFAOYSA-N
XLogP4.00
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.36
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[4-(difluoromethoxy)phenyl]methyl]-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 46097425
N-[(3,5-dimethoxyphenyl)methyl]-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 46096732
N-[(4-methylsulfanylphenyl)methyl]-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133272102
N-(1,2-oxazol-5-ylmethyl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 154752142
1-(4-fluorophenoxy)-3-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propan-2-ol
CID 133272686
N-(1-benzofuran-2-ylmethyl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 78899177
3-methoxy-N-[2-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]benzamide
CID 78845185
N-(2-methyl-2-methylsulfanylpropyl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133327350
2,2-dimethyl-3-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanamide
CID 60507623
methyl (2R)-3,3-dimethyl-2-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]butanoate
CID 95975565
5-(4-methoxyphenyl)-N-(2-methylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 46094547
N-[2-(5-fluoro-2-methylphenyl)ethyl]-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 178201764

Frequently Asked Questions

What is the IUPAC name of N-[[3-(difluoromethoxy)phenyl]methyl]-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[[3-(difluoromethoxy)phenyl]methyl]-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 133278063) is N-[[3-(difluoromethoxy)phenyl]methyl]-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[[3-(difluoromethoxy)phenyl]methyl]-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[[3-(difluoromethoxy)phenyl]methyl]-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is FC(F)Oc1cccc(CNc2cc(-c3ccccc3)nc3ncnn23)c1.
What is the InChIKey of N-[[3-(difluoromethoxy)phenyl]methyl]-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is NINIAKDGWCTVOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2N5O/c20-18(21)27-15-8-4-5-13(9-15)11-22-17-10-16(14-6-2-1-3-7-14)25-19-23-12-24-26(17)19/h1-10,12,18,22H,11H2.
What are the key properties of N-[[3-(difluoromethoxy)phenyl]methyl]-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-[[3-(difluoromethoxy)phenyl]methyl]-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 367.36 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(difluoromethoxy)phenyl]methyl]-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 133278063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).