2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

C10H17F3N6O — CID 25478098

IUPAC2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(C)N(C)Cc1nnnn1CC(=O)NCC(F)(F)F
InChIInChI=1S/C10H17F3N6O/c1-7(2)18(3)4-8-15-16-17-19(8)5-9(20)14-6-10(11,12)13/h7H,4-6H2,1-3H3,(H,14,20)
InChIKeyWOGWWTPCZPCTIH-UHFFFAOYSA-N
MW294.28 g/mol
LogP0.19
Rot. Bonds6

About 2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 25478098) has the molecular formula C10H17F3N6O and a molecular weight of 294.28 g/mol. Its IUPAC name is 2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID25478098
Molecular FormulaC10H17F3N6O
Molecular Weight294.28 g/mol
Exact Mass294.14
IUPAC Name2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(C)N(C)Cc1nnnn1CC(=O)NCC(F)(F)F
InChIInChI=1S/C10H17F3N6O/c1-7(2)18(3)4-8-15-16-17-19(8)5-9(20)14-6-10(11,12)13/h7H,4-6H2,1-3H3,(H,14,20)
InChIKeyWOGWWTPCZPCTIH-UHFFFAOYSA-N
XLogP0.19
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.28
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (CID 25478098) is 2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is CC(C)N(C)Cc1nnnn1CC(=O)NCC(F)(F)F.
What is the InChIKey of 2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is WOGWWTPCZPCTIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N6O/c1-7(2)18(3)4-8-15-16-17-19(8)5-9(20)14-6-10(11,12)13/h7H,4-6H2,1-3H3,(H,14,20).
What are the key properties of 2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 294.28 g/mol, XLogP of 0.19, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 25478098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).