N-(1,5-dimethyl-1,2,4-triazol-3-yl)-1-(fluoromethyl)cyclobutane-1-carboxamide

C10H15FN4O — CID 126795406

IUPACN-(1,5-dimethyl-1,2,4-triazol-3-yl)-1-(fluoromethyl)cyclobutane-1-carboxamide
SMILESCc1nc(NC(=O)C2(CF)CCC2)nn1C
InChIInChI=1S/C10H15FN4O/c1-7-12-9(14-15(7)2)13-8(16)10(6-11)4-3-5-10/h3-6H2,1-2H3,(H,13,14,16)
InChIKeyNNUWMKRLQSVQKX-UHFFFAOYSA-N
MW226.25 g/mol
LogP1.20
Rot. Bonds3

About N-(1,5-dimethyl-1,2,4-triazol-3-yl)-1-(fluoromethyl)cyclobutane-1-carboxamide

N-(1,5-dimethyl-1,2,4-triazol-3-yl)-1-(fluoromethyl)cyclobutane-1-carboxamide (PubChem CID 126795406) has the molecular formula C10H15FN4O and a molecular weight of 226.25 g/mol. Its IUPAC name is N-(1,5-dimethyl-1,2,4-triazol-3-yl)-1-(fluoromethyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-(1,5-dimethyl-1,2,4-triazol-3-yl)-1-(fluoromethyl)cyclobutane-1-carboxamide
PubChem CID126795406
Molecular FormulaC10H15FN4O
Molecular Weight226.25 g/mol
Exact Mass226.12
IUPAC NameN-(1,5-dimethyl-1,2,4-triazol-3-yl)-1-(fluoromethyl)cyclobutane-1-carboxamide
SMILESCc1nc(NC(=O)C2(CF)CCC2)nn1C
InChIInChI=1S/C10H15FN4O/c1-7-12-9(14-15(7)2)13-8(16)10(6-11)4-3-5-10/h3-6H2,1-2H3,(H,13,14,16)
InChIKeyNNUWMKRLQSVQKX-UHFFFAOYSA-N
XLogP1.20
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethyl-1,2,4-triazol-3-yl)-1-(fluoromethyl)cyclobutane-1-carboxamide?
The IUPAC name of N-(1,5-dimethyl-1,2,4-triazol-3-yl)-1-(fluoromethyl)cyclobutane-1-carboxamide (CID 126795406) is N-(1,5-dimethyl-1,2,4-triazol-3-yl)-1-(fluoromethyl)cyclobutane-1-carboxamide.
What is the SMILES notation for N-(1,5-dimethyl-1,2,4-triazol-3-yl)-1-(fluoromethyl)cyclobutane-1-carboxamide?
The canonical SMILES for N-(1,5-dimethyl-1,2,4-triazol-3-yl)-1-(fluoromethyl)cyclobutane-1-carboxamide is Cc1nc(NC(=O)C2(CF)CCC2)nn1C.
What is the InChIKey of N-(1,5-dimethyl-1,2,4-triazol-3-yl)-1-(fluoromethyl)cyclobutane-1-carboxamide?
The InChIKey is NNUWMKRLQSVQKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN4O/c1-7-12-9(14-15(7)2)13-8(16)10(6-11)4-3-5-10/h3-6H2,1-2H3,(H,13,14,16).
What are the key properties of N-(1,5-dimethyl-1,2,4-triazol-3-yl)-1-(fluoromethyl)cyclobutane-1-carboxamide?
N-(1,5-dimethyl-1,2,4-triazol-3-yl)-1-(fluoromethyl)cyclobutane-1-carboxamide has a molecular weight of 226.25 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethyl-1,2,4-triazol-3-yl)-1-(fluoromethyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 126795406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).