3-(4,5-dimethyl-1,2,4-triazol-3-yl)-3-fluorocyclobutan-1-amine

C8H13FN4 — CID 130941534

IUPAC3-(4,5-dimethyl-1,2,4-triazol-3-yl)-3-fluorocyclobutan-1-amine
SMILESCc1nnc(C2(F)CC(N)C2)n1C
InChIInChI=1S/C8H13FN4/c1-5-11-12-7(13(5)2)8(9)3-6(10)4-8/h6H,3-4,10H2,1-2H3
InChIKeyUKMRVAHNAFEQLR-UHFFFAOYSA-N
MW184.22 g/mol
LogP0.41
Rot. Bonds1

About 3-(4,5-dimethyl-1,2,4-triazol-3-yl)-3-fluorocyclobutan-1-amine

3-(4,5-dimethyl-1,2,4-triazol-3-yl)-3-fluorocyclobutan-1-amine (PubChem CID 130941534) has the molecular formula C8H13FN4 and a molecular weight of 184.22 g/mol. Its IUPAC name is 3-(4,5-dimethyl-1,2,4-triazol-3-yl)-3-fluorocyclobutan-1-amine.

Molecular Properties

Compound Name3-(4,5-dimethyl-1,2,4-triazol-3-yl)-3-fluorocyclobutan-1-amine
PubChem CID130941534
Molecular FormulaC8H13FN4
Molecular Weight184.22 g/mol
Exact Mass184.11
IUPAC Name3-(4,5-dimethyl-1,2,4-triazol-3-yl)-3-fluorocyclobutan-1-amine
SMILESCc1nnc(C2(F)CC(N)C2)n1C
InChIInChI=1S/C8H13FN4/c1-5-11-12-7(13(5)2)8(9)3-6(10)4-8/h6H,3-4,10H2,1-2H3
InChIKeyUKMRVAHNAFEQLR-UHFFFAOYSA-N
XLogP0.41
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.22
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-Isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)piperidine
CID 45097111
3-(dimethyl-4H-1,2,4-triazol-3-yl)propan-1-amine
CID 61353394
(5-cyclobutyl-4-methyl-4H-1,2,4-triazol-3-yl)methanamine dihydrochloride
CID 75480562
(cis-3-{4-ethyl-5-[(4-fluoropiperidin-1-yl)methyl]-4H-1,2,4-triazol-3-yl}cyclobutyl)amine
CID 91770191
cis-3-(4-ethyl-5-{[methyl(2,2,2-trifluoroethyl)amino]methyl}-4H-1,2,4-triazol-3-yl)cyclobutanamine
CID 91780298
(cis-3-{4-ethyl-5-[(4-methylpiperazin-1-yl)methyl]-4H-1,2,4-triazol-3-yl}cyclobutyl)amine
CID 91793433
trans-3-[4-ethyl-5-(pyrrolidin-1-ylmethyl)-4H-1,2,4-triazol-3-yl]cyclobutanamine
CID 91794902
4-[3-methyl-5-(trifluoromethyl)-4H-1,2,4-triazol-4-yl]piperidine
CID 52988033
4-[3-(1,1-Difluoroethyl)-5-methyl-1,2,4-triazol-4-yl]piperidin
CID 59287293
[(1R)-1-[4-ethyl-5-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]ethyl]azanium
CID 59438764
(1R)-1-[4-ethyl-5-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]ethanamine
CID 59438765
(1S,3R)-3-[3-methyl-5-(trifluoromethyl)-1,2,4-triazol-4-yl]cyclohexan-1-amine
CID 67490942

Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dimethyl-1,2,4-triazol-3-yl)-3-fluorocyclobutan-1-amine?
The IUPAC name of 3-(4,5-dimethyl-1,2,4-triazol-3-yl)-3-fluorocyclobutan-1-amine (CID 130941534) is 3-(4,5-dimethyl-1,2,4-triazol-3-yl)-3-fluorocyclobutan-1-amine.
What is the SMILES notation for 3-(4,5-dimethyl-1,2,4-triazol-3-yl)-3-fluorocyclobutan-1-amine?
The canonical SMILES for 3-(4,5-dimethyl-1,2,4-triazol-3-yl)-3-fluorocyclobutan-1-amine is Cc1nnc(C2(F)CC(N)C2)n1C.
What is the InChIKey of 3-(4,5-dimethyl-1,2,4-triazol-3-yl)-3-fluorocyclobutan-1-amine?
The InChIKey is UKMRVAHNAFEQLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FN4/c1-5-11-12-7(13(5)2)8(9)3-6(10)4-8/h6H,3-4,10H2,1-2H3.
What are the key properties of 3-(4,5-dimethyl-1,2,4-triazol-3-yl)-3-fluorocyclobutan-1-amine?
3-(4,5-dimethyl-1,2,4-triazol-3-yl)-3-fluorocyclobutan-1-amine has a molecular weight of 184.22 g/mol, XLogP of 0.41, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dimethyl-1,2,4-triazol-3-yl)-3-fluorocyclobutan-1-amine is sourced from PubChem (CID 130941534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).