N-(1,3-difluoro-2-methylpropan-2-yl)-3-(dimethylamino)-4-methyl-5-oxo-1,2,4-triazole-1-carboxamide

C10H17F2N5O2 — CID 14404892

IUPACN-(1,3-difluoro-2-methylpropan-2-yl)-3-(dimethylamino)-4-methyl-5-oxo-1,2,4-triazole-1-carboxamide
SMILESCN(C)c1nn(C(=O)NC(C)(CF)CF)c(=O)n1C
InChIInChI=1S/C10H17F2N5O2/c1-10(5-11,6-12)13-8(18)17-9(19)16(4)7(14-17)15(2)3/h5-6H2,1-4H3,(H,13,18)
InChIKeySBRBFEXQVWXBHQ-UHFFFAOYSA-N
MW277.27 g/mol
LogP-0.10
Rot. Bonds4

About N-(1,3-difluoro-2-methylpropan-2-yl)-3-(dimethylamino)-4-methyl-5-oxo-1,2,4-triazole-1-carboxamide

N-(1,3-difluoro-2-methylpropan-2-yl)-3-(dimethylamino)-4-methyl-5-oxo-1,2,4-triazole-1-carboxamide (PubChem CID 14404892) has the molecular formula C10H17F2N5O2 and a molecular weight of 277.27 g/mol. Its IUPAC name is N-(1,3-difluoro-2-methylpropan-2-yl)-3-(dimethylamino)-4-methyl-5-oxo-1,2,4-triazole-1-carboxamide.

Molecular Properties

Compound NameN-(1,3-difluoro-2-methylpropan-2-yl)-3-(dimethylamino)-4-methyl-5-oxo-1,2,4-triazole-1-carboxamide
PubChem CID14404892
Molecular FormulaC10H17F2N5O2
Molecular Weight277.27 g/mol
Exact Mass277.14
IUPAC NameN-(1,3-difluoro-2-methylpropan-2-yl)-3-(dimethylamino)-4-methyl-5-oxo-1,2,4-triazole-1-carboxamide
SMILESCN(C)c1nn(C(=O)NC(C)(CF)CF)c(=O)n1C
InChIInChI=1S/C10H17F2N5O2/c1-10(5-11,6-12)13-8(18)17-9(19)16(4)7(14-17)15(2)3/h5-6H2,1-4H3,(H,13,18)
InChIKeySBRBFEXQVWXBHQ-UHFFFAOYSA-N
XLogP-0.10
TPSA72.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.27
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(1,3-difluoro-2-methylpropan-2-yl)-3-(dimethylamino)-4-methyl-5-oxo-1,2,4-triazole-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1,3-difluoro-2-methylpropan-2-yl)-3-(dimethylamino)-4-methyl-5-oxo-1,2,4-triazole-1-carboxamide?
The IUPAC name of N-(1,3-difluoro-2-methylpropan-2-yl)-3-(dimethylamino)-4-methyl-5-oxo-1,2,4-triazole-1-carboxamide (CID 14404892) is N-(1,3-difluoro-2-methylpropan-2-yl)-3-(dimethylamino)-4-methyl-5-oxo-1,2,4-triazole-1-carboxamide.
What is the SMILES notation for N-(1,3-difluoro-2-methylpropan-2-yl)-3-(dimethylamino)-4-methyl-5-oxo-1,2,4-triazole-1-carboxamide?
The canonical SMILES for N-(1,3-difluoro-2-methylpropan-2-yl)-3-(dimethylamino)-4-methyl-5-oxo-1,2,4-triazole-1-carboxamide is CN(C)c1nn(C(=O)NC(C)(CF)CF)c(=O)n1C.
What is the InChIKey of N-(1,3-difluoro-2-methylpropan-2-yl)-3-(dimethylamino)-4-methyl-5-oxo-1,2,4-triazole-1-carboxamide?
The InChIKey is SBRBFEXQVWXBHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2N5O2/c1-10(5-11,6-12)13-8(18)17-9(19)16(4)7(14-17)15(2)3/h5-6H2,1-4H3,(H,13,18).
What are the key properties of N-(1,3-difluoro-2-methylpropan-2-yl)-3-(dimethylamino)-4-methyl-5-oxo-1,2,4-triazole-1-carboxamide?
N-(1,3-difluoro-2-methylpropan-2-yl)-3-(dimethylamino)-4-methyl-5-oxo-1,2,4-triazole-1-carboxamide has a molecular weight of 277.27 g/mol, XLogP of -0.10, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-difluoro-2-methylpropan-2-yl)-3-(dimethylamino)-4-methyl-5-oxo-1,2,4-triazole-1-carboxamide is sourced from PubChem (CID 14404892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).