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

C15H11F6N5O — CID 133275348

IUPACN-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1ccc(CNc2cc(C(F)(F)F)nc3ncnn23)c(C(F)(F)F)c1
InChIInChI=1S/C15H11F6N5O/c1-27-9-3-2-8(10(4-9)14(16,17)18)6-22-12-5-11(15(19,20)21)25-13-23-7-24-26(12)13/h2-5,7,22H,6H2,1H3
InChIKeySJSOXWBUGVOZPO-UHFFFAOYSA-N
MW391.28 g/mol
LogP3.78
Rot. Bonds4

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

N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 133275348) has the molecular formula C15H11F6N5O and a molecular weight of 391.28 g/mol. Its IUPAC name is N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID133275348
Molecular FormulaC15H11F6N5O
Molecular Weight391.28 g/mol
Exact Mass391.09
IUPAC NameN-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1ccc(CNc2cc(C(F)(F)F)nc3ncnn23)c(C(F)(F)F)c1
InChIInChI=1S/C15H11F6N5O/c1-27-9-3-2-8(10(4-9)14(16,17)18)6-22-12-5-11(15(19,20)21)25-13-23-7-24-26(12)13/h2-5,7,22H,6H2,1H3
InChIKeySJSOXWBUGVOZPO-UHFFFAOYSA-N
XLogP3.78
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.28
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133277580
N-[(5-methyl-1,2-oxazol-4-yl)methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 154771631
N,N-dimethyl-4-[[[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]methyl]quinolin-2-amine
CID 133327950
N-[2-(2-methoxypyrimidin-5-yl)ethyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 154765285
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133272607
N-(cyclohexylmethyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 3227275
N-(4-bromo-3-methoxyphenyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133342606
5-chloro-N-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102918380
4-(difluoromethylsulfonyl)-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]aniline
CID 133275361
N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-1,3-benzoxazol-2-amine
CID 133275381
N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 145221185
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 56790910

Frequently Asked Questions

What is the IUPAC name of N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 133275348) is N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is COc1ccc(CNc2cc(C(F)(F)F)nc3ncnn23)c(C(F)(F)F)c1.
What is the InChIKey of N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is SJSOXWBUGVOZPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F6N5O/c1-27-9-3-2-8(10(4-9)14(16,17)18)6-22-12-5-11(15(19,20)21)25-13-23-7-24-26(12)13/h2-5,7,22H,6H2,1H3.
What are the key properties of N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 391.28 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 133275348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).