N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyltriazol-2-yl]ethyl]formamide;3-methyl-2-(2,2,2-trifluoroethyl)pyridine

C19H28F3N5O2 — CID 145108121

IUPACN-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyltriazol-2-yl]ethyl]formamide;3-methyl-2-(2,2,2-trifluoroethyl)pyridine
SMILESCCN(C=O)CCn1nc(C)c(C(C)(C)O)n1.Cc1cccnc1CC(F)(F)F
InChIInChI=1S/C11H20N4O2.C8H8F3N/c1-5-14(8-16)6-7-15-12-9(2)10(13-15)11(3,4)17;1-6-3-2-4-12-7(6)5-8(9,10)11/h8,17H,5-7H2,1-4H3;2-4H,5H2,1H3
InChIKeyWAFOYOAWRICIKS-UHFFFAOYSA-N
MW415.46 g/mol
LogP2.79
Rot. Bonds7

About N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyltriazol-2-yl]ethyl]formamide;3-methyl-2-(2,2,2-trifluoroethyl)pyridine

N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyltriazol-2-yl]ethyl]formamide;3-methyl-2-(2,2,2-trifluoroethyl)pyridine (PubChem CID 145108121) has the molecular formula C19H28F3N5O2 and a molecular weight of 415.46 g/mol. Its IUPAC name is N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyltriazol-2-yl]ethyl]formamide;3-methyl-2-(2,2,2-trifluoroethyl)pyridine.

Molecular Properties

Compound NameN-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyltriazol-2-yl]ethyl]formamide;3-methyl-2-(2,2,2-trifluoroethyl)pyridine
PubChem CID145108121
Molecular FormulaC19H28F3N5O2
Molecular Weight415.46 g/mol
Exact Mass415.22
IUPAC NameN-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyltriazol-2-yl]ethyl]formamide;3-methyl-2-(2,2,2-trifluoroethyl)pyridine
SMILESCCN(C=O)CCn1nc(C)c(C(C)(C)O)n1.Cc1cccnc1CC(F)(F)F
InChIInChI=1S/C11H20N4O2.C8H8F3N/c1-5-14(8-16)6-7-15-12-9(2)10(13-15)11(3,4)17;1-6-3-2-4-12-7(6)5-8(9,10)11/h8,17H,5-7H2,1-4H3;2-4H,5H2,1H3
InChIKeyWAFOYOAWRICIKS-UHFFFAOYSA-N
XLogP2.79
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.46
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyltriazol-2-yl]ethyl]formamide;3-methyl-2-(2,2,2-trifluoroethyl)pyridine?
The IUPAC name of N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyltriazol-2-yl]ethyl]formamide;3-methyl-2-(2,2,2-trifluoroethyl)pyridine (CID 145108121) is N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyltriazol-2-yl]ethyl]formamide;3-methyl-2-(2,2,2-trifluoroethyl)pyridine.
What is the SMILES notation for N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyltriazol-2-yl]ethyl]formamide;3-methyl-2-(2,2,2-trifluoroethyl)pyridine?
The canonical SMILES for N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyltriazol-2-yl]ethyl]formamide;3-methyl-2-(2,2,2-trifluoroethyl)pyridine is CCN(C=O)CCn1nc(C)c(C(C)(C)O)n1.Cc1cccnc1CC(F)(F)F.
What is the InChIKey of N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyltriazol-2-yl]ethyl]formamide;3-methyl-2-(2,2,2-trifluoroethyl)pyridine?
The InChIKey is WAFOYOAWRICIKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2.C8H8F3N/c1-5-14(8-16)6-7-15-12-9(2)10(13-15)11(3,4)17;1-6-3-2-4-12-7(6)5-8(9,10)11/h8,17H,5-7H2,1-4H3;2-4H,5H2,1H3.
What are the key properties of N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyltriazol-2-yl]ethyl]formamide;3-methyl-2-(2,2,2-trifluoroethyl)pyridine?
N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyltriazol-2-yl]ethyl]formamide;3-methyl-2-(2,2,2-trifluoroethyl)pyridine has a molecular weight of 415.46 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyltriazol-2-yl]ethyl]formamide;3-methyl-2-(2,2,2-trifluoroethyl)pyridine is sourced from PubChem (CID 145108121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).