N-[[4-(2-methylphenyl)oxan-4-yl]methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C19H20F3N5O — CID 133272351

IUPACN-[[4-(2-methylphenyl)oxan-4-yl]methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1ccccc1C1(CNc2cc(C(F)(F)F)nc3ncnn23)CCOCC1
InChIInChI=1S/C19H20F3N5O/c1-13-4-2-3-5-14(13)18(6-8-28-9-7-18)11-23-16-10-15(19(20,21)22)26-17-24-12-25-27(16)17/h2-5,10,12,23H,6-9,11H2,1H3
InChIKeyOSEFQQRGHQMNHY-UHFFFAOYSA-N
MW391.40 g/mol
LogP3.61
Rot. Bonds4

About N-[[4-(2-methylphenyl)oxan-4-yl]methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

N-[[4-(2-methylphenyl)oxan-4-yl]methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 133272351) has the molecular formula C19H20F3N5O and a molecular weight of 391.40 g/mol. Its IUPAC name is N-[[4-(2-methylphenyl)oxan-4-yl]methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[[4-(2-methylphenyl)oxan-4-yl]methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID133272351
Molecular FormulaC19H20F3N5O
Molecular Weight391.40 g/mol
Exact Mass391.16
IUPAC NameN-[[4-(2-methylphenyl)oxan-4-yl]methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1ccccc1C1(CNc2cc(C(F)(F)F)nc3ncnn23)CCOCC1
InChIInChI=1S/C19H20F3N5O/c1-13-4-2-3-5-14(13)18(6-8-28-9-7-18)11-23-16-10-15(19(20,21)22)26-17-24-12-25-27(16)17/h2-5,10,12,23H,6-9,11H2,1H3
InChIKeyOSEFQQRGHQMNHY-UHFFFAOYSA-N
XLogP3.61
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.40
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-methylphenyl)oxan-4-yl]methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[[4-(2-methylphenyl)oxan-4-yl]methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 133272351) is N-[[4-(2-methylphenyl)oxan-4-yl]methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[[4-(2-methylphenyl)oxan-4-yl]methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[[4-(2-methylphenyl)oxan-4-yl]methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1ccccc1C1(CNc2cc(C(F)(F)F)nc3ncnn23)CCOCC1.
What is the InChIKey of N-[[4-(2-methylphenyl)oxan-4-yl]methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is OSEFQQRGHQMNHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N5O/c1-13-4-2-3-5-14(13)18(6-8-28-9-7-18)11-23-16-10-15(19(20,21)22)26-17-24-12-25-27(16)17/h2-5,10,12,23H,6-9,11H2,1H3.
What are the key properties of N-[[4-(2-methylphenyl)oxan-4-yl]methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-[[4-(2-methylphenyl)oxan-4-yl]methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 391.40 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-methylphenyl)oxan-4-yl]methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 133272351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).