N-(1-fluoro-2-methylpropan-2-yl)-2H-triazole-4-carboxamide

C7H11FN4O — CID 130635171

IUPACN-(1-fluoro-2-methylpropan-2-yl)-2H-triazole-4-carboxamide
SMILESCC(C)(CF)NC(=O)c1cn[nH]n1
InChIInChI=1S/C7H11FN4O/c1-7(2,4-8)10-6(13)5-3-9-12-11-5/h3H,4H2,1-2H3,(H,10,13)(H,9,11,12)
InChIKeyGVNGJPAGUZCVCI-UHFFFAOYSA-N
MW186.19 g/mol
LogP0.28
Rot. Bonds3

About N-(1-fluoro-2-methylpropan-2-yl)-2H-triazole-4-carboxamide

N-(1-fluoro-2-methylpropan-2-yl)-2H-triazole-4-carboxamide (PubChem CID 130635171) has the molecular formula C7H11FN4O and a molecular weight of 186.19 g/mol. Its IUPAC name is N-(1-fluoro-2-methylpropan-2-yl)-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-fluoro-2-methylpropan-2-yl)-2H-triazole-4-carboxamide
PubChem CID130635171
Molecular FormulaC7H11FN4O
Molecular Weight186.19 g/mol
Exact Mass186.09
IUPAC NameN-(1-fluoro-2-methylpropan-2-yl)-2H-triazole-4-carboxamide
SMILESCC(C)(CF)NC(=O)c1cn[nH]n1
InChIInChI=1S/C7H11FN4O/c1-7(2,4-8)10-6(13)5-3-9-12-11-5/h3H,4H2,1-2H3,(H,10,13)(H,9,11,12)
InChIKeyGVNGJPAGUZCVCI-UHFFFAOYSA-N
XLogP0.28
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.19
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-fluoro-2-methylpropan-2-yl)-2H-triazole-4-carboxamide?
The IUPAC name of N-(1-fluoro-2-methylpropan-2-yl)-2H-triazole-4-carboxamide (CID 130635171) is N-(1-fluoro-2-methylpropan-2-yl)-2H-triazole-4-carboxamide.
What is the SMILES notation for N-(1-fluoro-2-methylpropan-2-yl)-2H-triazole-4-carboxamide?
The canonical SMILES for N-(1-fluoro-2-methylpropan-2-yl)-2H-triazole-4-carboxamide is CC(C)(CF)NC(=O)c1cn[nH]n1.
What is the InChIKey of N-(1-fluoro-2-methylpropan-2-yl)-2H-triazole-4-carboxamide?
The InChIKey is GVNGJPAGUZCVCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FN4O/c1-7(2,4-8)10-6(13)5-3-9-12-11-5/h3H,4H2,1-2H3,(H,10,13)(H,9,11,12).
What are the key properties of N-(1-fluoro-2-methylpropan-2-yl)-2H-triazole-4-carboxamide?
N-(1-fluoro-2-methylpropan-2-yl)-2H-triazole-4-carboxamide has a molecular weight of 186.19 g/mol, XLogP of 0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-fluoro-2-methylpropan-2-yl)-2H-triazole-4-carboxamide is sourced from PubChem (CID 130635171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).