N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]propanamide

C11H18N4O — CID 75504251

IUPACN-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]propanamide
SMILESCCC(=O)NCc1nnc(C2CCC2)n1C
InChIInChI=1S/C11H18N4O/c1-3-10(16)12-7-9-13-14-11(15(9)2)8-5-4-6-8/h8H,3-7H2,1-2H3,(H,12,16)
InChIKeyBLYCPUDSFCOBMJ-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.11
Rot. Bonds4

About N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]propanamide

N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]propanamide (PubChem CID 75504251) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]propanamide.

Molecular Properties

Compound NameN-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]propanamide
PubChem CID75504251
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC NameN-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]propanamide
SMILESCCC(=O)NCc1nnc(C2CCC2)n1C
InChIInChI=1S/C11H18N4O/c1-3-10(16)12-7-9-13-14-11(15(9)2)8-5-4-6-8/h8H,3-7H2,1-2H3,(H,12,16)
InChIKeyBLYCPUDSFCOBMJ-UHFFFAOYSA-N
XLogP1.11
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-4,4,4-trifluorobutanamide
CID 86792829
N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-(dimethylamino)butanamide
CID 75507628
3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]propanamide
CID 127877563
N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]furan-3-carboxamide
CID 86789085
N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-1-ethyl-2,5-dimethylpyrrole-3-carboxamide
CID 86792837
(2S)-N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-hydroxy-2-methyl-4-phenylbutanamide
CID 124848461
(3S)-N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-5,6-dimethyl-2,3-dihydro-1-benzofuran-3-carboxamide
CID 124618645
(5-cyclooctyl-4-methyl-1,2,4-triazol-3-yl)methanol
CID 115396998
N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-3,4-dihydro-1H-isochromene-1-carboxamide
CID 75507629
N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]but-3-ene-1-sulfonamide
CID 91661972
N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-(3-methoxyphenoxy)acetamide
CID 75447582
N-[[4-methyl-5-(2-methylpropylsulfanyl)-1,2,4-triazol-3-yl]methyl]propanamide
CID 42452678

Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]propanamide?
The IUPAC name of N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]propanamide (CID 75504251) is N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]propanamide.
What is the SMILES notation for N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]propanamide?
The canonical SMILES for N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]propanamide is CCC(=O)NCc1nnc(C2CCC2)n1C.
What is the InChIKey of N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]propanamide?
The InChIKey is BLYCPUDSFCOBMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-3-10(16)12-7-9-13-14-11(15(9)2)8-5-4-6-8/h8H,3-7H2,1-2H3,(H,12,16).
What are the key properties of N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]propanamide?
N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]propanamide has a molecular weight of 222.29 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]propanamide is sourced from PubChem (CID 75504251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).