N-methyl-2-(8-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-(2,2,2-trifluoroethyl)acetamide

C14H22F3N5O — CID 154754032

IUPACN-methyl-2-(8-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(C)c1nnc2n1CCN(CC(=O)N(C)CC(F)(F)F)C2C
InChIInChI=1S/C14H22F3N5O/c1-9(2)12-18-19-13-10(3)21(5-6-22(12)13)7-11(23)20(4)8-14(15,16)17/h9-10H,5-8H2,1-4H3
InChIKeyAKRIVWCCSSPFMZ-UHFFFAOYSA-N
MW333.36 g/mol
LogP1.80
Rot. Bonds4

About N-methyl-2-(8-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-(2,2,2-trifluoroethyl)acetamide

N-methyl-2-(8-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 154754032) has the molecular formula C14H22F3N5O and a molecular weight of 333.36 g/mol. Its IUPAC name is N-methyl-2-(8-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound NameN-methyl-2-(8-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID154754032
Molecular FormulaC14H22F3N5O
Molecular Weight333.36 g/mol
Exact Mass333.18
IUPAC NameN-methyl-2-(8-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(C)c1nnc2n1CCN(CC(=O)N(C)CC(F)(F)F)C2C
InChIInChI=1S/C14H22F3N5O/c1-9(2)12-18-19-13-10(3)21(5-6-22(12)13)7-11(23)20(4)8-14(15,16)17/h9-10H,5-8H2,1-4H3
InChIKeyAKRIVWCCSSPFMZ-UHFFFAOYSA-N
XLogP1.80
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(8-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of N-methyl-2-(8-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-(2,2,2-trifluoroethyl)acetamide (CID 154754032) is N-methyl-2-(8-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for N-methyl-2-(8-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for N-methyl-2-(8-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-(2,2,2-trifluoroethyl)acetamide is CC(C)c1nnc2n1CCN(CC(=O)N(C)CC(F)(F)F)C2C.
What is the InChIKey of N-methyl-2-(8-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is AKRIVWCCSSPFMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3N5O/c1-9(2)12-18-19-13-10(3)21(5-6-22(12)13)7-11(23)20(4)8-14(15,16)17/h9-10H,5-8H2,1-4H3.
What are the key properties of N-methyl-2-(8-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-(2,2,2-trifluoroethyl)acetamide?
N-methyl-2-(8-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 333.36 g/mol, XLogP of 1.80, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(8-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 154754032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).