2-[4-(aminomethyl)triazol-1-yl]-N-propyl-N-(2,2,2-trifluoroethyl)acetamide

C10H16F3N5O — CID 115459344

IUPAC2-[4-(aminomethyl)triazol-1-yl]-N-propyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCCN(CC(F)(F)F)C(=O)Cn1cc(CN)nn1
InChIInChI=1S/C10H16F3N5O/c1-2-3-17(7-10(11,12)13)9(19)6-18-5-8(4-14)15-16-18/h5H,2-4,6-7,14H2,1H3
InChIKeyMTSSODONOUJFAU-UHFFFAOYSA-N
MW279.27 g/mol
LogP0.54
Rot. Bonds6

About 2-[4-(aminomethyl)triazol-1-yl]-N-propyl-N-(2,2,2-trifluoroethyl)acetamide

2-[4-(aminomethyl)triazol-1-yl]-N-propyl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 115459344) has the molecular formula C10H16F3N5O and a molecular weight of 279.27 g/mol. Its IUPAC name is 2-[4-(aminomethyl)triazol-1-yl]-N-propyl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)triazol-1-yl]-N-propyl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID115459344
Molecular FormulaC10H16F3N5O
Molecular Weight279.27 g/mol
Exact Mass279.13
IUPAC Name2-[4-(aminomethyl)triazol-1-yl]-N-propyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCCN(CC(F)(F)F)C(=O)Cn1cc(CN)nn1
InChIInChI=1S/C10H16F3N5O/c1-2-3-17(7-10(11,12)13)9(19)6-18-5-8(4-14)15-16-18/h5H,2-4,6-7,14H2,1H3
InChIKeyMTSSODONOUJFAU-UHFFFAOYSA-N
XLogP0.54
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.27
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(aminomethyl)triazol-1-yl]-N,N-dipropylacetamide
CID 62053642
2-[4-(aminomethyl)triazol-1-yl]-N-[2-(dimethylamino)ethyl]-N-propylacetamide
CID 115459734
2-[4-(aminomethyl)triazol-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 113314088
2-[4-(aminomethyl)triazol-1-yl]-N,N-diethylacetamide
CID 62055542
2-[4-(aminomethyl)triazol-1-yl]-N-methyl-N-(2-methylsulfanylethyl)acetamide
CID 112658923
2-[4-(aminomethyl)triazol-1-yl]-N-ethyl-N-methylacetamide
CID 62053781
2-[4-(aminomethyl)triazol-1-yl]-N-methyl-N-(2-methylbutan-2-yl)acetamide
CID 113314194
2-[4-(aminomethyl)triazol-1-yl]-N-cyclopentyl-N-ethylacetamide
CID 113314068
2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]-N,N-dipropylacetamide
CID 66193073
2-[4-(aminomethyl)phenyl]-N-propyl-N-(2,2,2-trifluoroethyl)acetamide
CID 63589444
2-[4-(aminomethyl)triazol-1-yl]-N-ethyl-N-phenylacetamide
CID 62055304
2-[4-(aminomethyl)triazol-1-yl]-N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)acetamide
CID 115459440

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)triazol-1-yl]-N-propyl-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[4-(aminomethyl)triazol-1-yl]-N-propyl-N-(2,2,2-trifluoroethyl)acetamide (CID 115459344) is 2-[4-(aminomethyl)triazol-1-yl]-N-propyl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[4-(aminomethyl)triazol-1-yl]-N-propyl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[4-(aminomethyl)triazol-1-yl]-N-propyl-N-(2,2,2-trifluoroethyl)acetamide is CCCN(CC(F)(F)F)C(=O)Cn1cc(CN)nn1.
What is the InChIKey of 2-[4-(aminomethyl)triazol-1-yl]-N-propyl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is MTSSODONOUJFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N5O/c1-2-3-17(7-10(11,12)13)9(19)6-18-5-8(4-14)15-16-18/h5H,2-4,6-7,14H2,1H3.
What are the key properties of 2-[4-(aminomethyl)triazol-1-yl]-N-propyl-N-(2,2,2-trifluoroethyl)acetamide?
2-[4-(aminomethyl)triazol-1-yl]-N-propyl-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 279.27 g/mol, XLogP of 0.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)triazol-1-yl]-N-propyl-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 115459344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).