N-[1-(methoxymethyl)cyclobutyl]-5-methyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide

C19H26N4O2 — CID 138998144

IUPACN-[1-(methoxymethyl)cyclobutyl]-5-methyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide
SMILESCOCC1(NC(=O)c2nc(C)n(-c3ccccc3C(C)C)n2)CCC1
InChIInChI=1S/C19H26N4O2/c1-13(2)15-8-5-6-9-16(15)23-14(3)20-17(22-23)18(24)21-19(12-25-4)10-7-11-19/h5-6,8-9,13H,7,10-12H2,1-4H3,(H,21,24)
InChIKeyBVRWUZXSOOSRAF-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.00
Rot. Bonds6

About N-[1-(methoxymethyl)cyclobutyl]-5-methyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide

N-[1-(methoxymethyl)cyclobutyl]-5-methyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide (PubChem CID 138998144) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-[1-(methoxymethyl)cyclobutyl]-5-methyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(methoxymethyl)cyclobutyl]-5-methyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide
PubChem CID138998144
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC NameN-[1-(methoxymethyl)cyclobutyl]-5-methyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide
SMILESCOCC1(NC(=O)c2nc(C)n(-c3ccccc3C(C)C)n2)CCC1
InChIInChI=1S/C19H26N4O2/c1-13(2)15-8-5-6-9-16(15)23-14(3)20-17(22-23)18(24)21-19(12-25-4)10-7-11-19/h5-6,8-9,13H,7,10-12H2,1-4H3,(H,21,24)
InChIKeyBVRWUZXSOOSRAF-UHFFFAOYSA-N
XLogP3.00
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(methoxymethyl)cyclobutyl]-5-methyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-[1-(methoxymethyl)cyclobutyl]-5-methyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide (CID 138998144) is N-[1-(methoxymethyl)cyclobutyl]-5-methyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-[1-(methoxymethyl)cyclobutyl]-5-methyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-[1-(methoxymethyl)cyclobutyl]-5-methyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide is COCC1(NC(=O)c2nc(C)n(-c3ccccc3C(C)C)n2)CCC1.
What is the InChIKey of N-[1-(methoxymethyl)cyclobutyl]-5-methyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide?
The InChIKey is BVRWUZXSOOSRAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-13(2)15-8-5-6-9-16(15)23-14(3)20-17(22-23)18(24)21-19(12-25-4)10-7-11-19/h5-6,8-9,13H,7,10-12H2,1-4H3,(H,21,24).
What are the key properties of N-[1-(methoxymethyl)cyclobutyl]-5-methyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide?
N-[1-(methoxymethyl)cyclobutyl]-5-methyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(methoxymethyl)cyclobutyl]-5-methyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 138998144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).