3-cyclobutyl-4-methyl-5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]-1,2,4-triazole

C14H21N5O — CID 126766085

IUPAC3-cyclobutyl-4-methyl-5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]-1,2,4-triazole
SMILESCc1nn(C)c(C)c1OCc1nnc(C2CCC2)n1C
InChIInChI=1S/C14H21N5O/c1-9-13(10(2)19(4)17-9)20-8-12-15-16-14(18(12)3)11-6-5-7-11/h11H,5-8H2,1-4H3
InChIKeyULTRICBMFWWTDK-UHFFFAOYSA-N
MW275.36 g/mol
LogP2.01
Rot. Bonds4

About 3-cyclobutyl-4-methyl-5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]-1,2,4-triazole

3-cyclobutyl-4-methyl-5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]-1,2,4-triazole (PubChem CID 126766085) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is 3-cyclobutyl-4-methyl-5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]-1,2,4-triazole.

Molecular Properties

Compound Name3-cyclobutyl-4-methyl-5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]-1,2,4-triazole
PubChem CID126766085
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name3-cyclobutyl-4-methyl-5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]-1,2,4-triazole
SMILESCc1nn(C)c(C)c1OCc1nnc(C2CCC2)n1C
InChIInChI=1S/C14H21N5O/c1-9-13(10(2)19(4)17-9)20-8-12-15-16-14(18(12)3)11-6-5-7-11/h11H,5-8H2,1-4H3
InChIKeyULTRICBMFWWTDK-UHFFFAOYSA-N
XLogP2.01
TPSA57.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-cyclopropyl-3-methyl-5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]-1,2,4-triazole
CID 97127132
4-(cyclopropylmethoxy)-1,3,5-trimethylpyrazole
CID 130616608
(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]propanamide
CID 75504251
4-[4-methyl-5-[(3-methylphenoxy)methyl]-1,2,4-triazol-3-yl]cyclohexan-1-amine
CID 138484982
3,5-dimethyl-4-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]-1,2-oxazole
CID 71971325
N-(5-cyclopentyl-1H-pyrazol-3-yl)-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide
CID 71970941
(1R,2R,4R)-N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 129380188
3-cyclopropyl-4-methyl-5-[(4-pyrazol-1-ylphenoxy)methyl]-1,2,4-triazole
CID 75522065
N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-4,4,4-trifluorobutanamide
CID 86792829
(2R)-1-(1,3,5-trimethylpyrazol-4-yl)oxypropan-2-ol
CID 106933152
N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-7-fluoro-6-methoxyquinazolin-4-amine
CID 100651225

Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-4-methyl-5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]-1,2,4-triazole?
The IUPAC name of 3-cyclobutyl-4-methyl-5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]-1,2,4-triazole (CID 126766085) is 3-cyclobutyl-4-methyl-5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]-1,2,4-triazole.
What is the SMILES notation for 3-cyclobutyl-4-methyl-5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]-1,2,4-triazole?
The canonical SMILES for 3-cyclobutyl-4-methyl-5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]-1,2,4-triazole is Cc1nn(C)c(C)c1OCc1nnc(C2CCC2)n1C.
What is the InChIKey of 3-cyclobutyl-4-methyl-5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]-1,2,4-triazole?
The InChIKey is ULTRICBMFWWTDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-9-13(10(2)19(4)17-9)20-8-12-15-16-14(18(12)3)11-6-5-7-11/h11H,5-8H2,1-4H3.
What are the key properties of 3-cyclobutyl-4-methyl-5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]-1,2,4-triazole?
3-cyclobutyl-4-methyl-5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]-1,2,4-triazole has a molecular weight of 275.36 g/mol, XLogP of 2.01, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-4-methyl-5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]-1,2,4-triazole is sourced from PubChem (CID 126766085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).