N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2,2-difluoro-3-methylcyclopropane-1-carboxamide

C10H14F2N4O — CID 136531551

IUPACN-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2,2-difluoro-3-methylcyclopropane-1-carboxamide
SMILESCc1nnc(CNC(=O)C2C(C)C2(F)F)n1C
InChIInChI=1S/C10H14F2N4O/c1-5-8(10(5,11)12)9(17)13-4-7-15-14-6(2)16(7)3/h5,8H,4H2,1-3H3,(H,13,17)
InChIKeyUBNPOEBRTQETGZ-UHFFFAOYSA-N
MW244.24 g/mol
LogP0.64
Rot. Bonds3

About N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2,2-difluoro-3-methylcyclopropane-1-carboxamide

N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2,2-difluoro-3-methylcyclopropane-1-carboxamide (PubChem CID 136531551) has the molecular formula C10H14F2N4O and a molecular weight of 244.24 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2,2-difluoro-3-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2,2-difluoro-3-methylcyclopropane-1-carboxamide
PubChem CID136531551
Molecular FormulaC10H14F2N4O
Molecular Weight244.24 g/mol
Exact Mass244.11
IUPAC NameN-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2,2-difluoro-3-methylcyclopropane-1-carboxamide
SMILESCc1nnc(CNC(=O)C2C(C)C2(F)F)n1C
InChIInChI=1S/C10H14F2N4O/c1-5-8(10(5,11)12)9(17)13-4-7-15-14-6(2)16(7)3/h5,8H,4H2,1-3H3,(H,13,17)
InChIKeyUBNPOEBRTQETGZ-UHFFFAOYSA-N
XLogP0.64
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2,2-difluoro-3-methylcyclopropane-1-carboxamide?
The IUPAC name of N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2,2-difluoro-3-methylcyclopropane-1-carboxamide (CID 136531551) is N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2,2-difluoro-3-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2,2-difluoro-3-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2,2-difluoro-3-methylcyclopropane-1-carboxamide is Cc1nnc(CNC(=O)C2C(C)C2(F)F)n1C.
What is the InChIKey of N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2,2-difluoro-3-methylcyclopropane-1-carboxamide?
The InChIKey is UBNPOEBRTQETGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N4O/c1-5-8(10(5,11)12)9(17)13-4-7-15-14-6(2)16(7)3/h5,8H,4H2,1-3H3,(H,13,17).
What are the key properties of N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2,2-difluoro-3-methylcyclopropane-1-carboxamide?
N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2,2-difluoro-3-methylcyclopropane-1-carboxamide has a molecular weight of 244.24 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2,2-difluoro-3-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 136531551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).