[1-[(3,3-difluorocyclobutyl)methyl]-1,2,4-triazol-3-yl]methanamine

C8H12F2N4 — CID 131138350

IUPAC[1-[(3,3-difluorocyclobutyl)methyl]-1,2,4-triazol-3-yl]methanamine
SMILESNCc1ncn(CC2CC(F)(F)C2)n1
InChIInChI=1S/C8H12F2N4/c9-8(10)1-6(2-8)4-14-5-12-7(3-11)13-14/h5-6H,1-4,11H2
InChIKeyFODDWGIXXLQLSZ-UHFFFAOYSA-N
MW202.21 g/mol
LogP0.78
Rot. Bonds3

About [1-[(3,3-difluorocyclobutyl)methyl]-1,2,4-triazol-3-yl]methanamine

[1-[(3,3-difluorocyclobutyl)methyl]-1,2,4-triazol-3-yl]methanamine (PubChem CID 131138350) has the molecular formula C8H12F2N4 and a molecular weight of 202.21 g/mol. Its IUPAC name is [1-[(3,3-difluorocyclobutyl)methyl]-1,2,4-triazol-3-yl]methanamine.

Molecular Properties

Compound Name[1-[(3,3-difluorocyclobutyl)methyl]-1,2,4-triazol-3-yl]methanamine
PubChem CID131138350
Molecular FormulaC8H12F2N4
Molecular Weight202.21 g/mol
Exact Mass202.10
IUPAC Name[1-[(3,3-difluorocyclobutyl)methyl]-1,2,4-triazol-3-yl]methanamine
SMILESNCc1ncn(CC2CC(F)(F)C2)n1
InChIInChI=1S/C8H12F2N4/c9-8(10)1-6(2-8)4-14-5-12-7(3-11)13-14/h5-6H,1-4,11H2
InChIKeyFODDWGIXXLQLSZ-UHFFFAOYSA-N
XLogP0.78
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-Hexyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]methanamine
CID 66759898
4-[[3-(Trifluoromethyl)-1,2,4-triazol-1-yl]methyl]piperidine
CID 84037654
1-[[3-(Trifluoromethyl)cyclobutyl]methyl]-1,2,4-triazole-3-carboxamide
CID 142742590
1-[(3,3-Difluorocyclobutyl)methyl]-1,2,4-triazole-3-carboxamide
CID 159487913
Ethane;6-[[3-(trifluoromethyl)-1,2,4-triazol-1-yl]methyl]-2-azaspiro[3.3]heptane
CID 168205186
6-[[3-(Trifluoromethyl)-1,2,4-triazol-1-yl]methyl]-2-azaspiro[3.3]heptane
CID 168205187
4-[[1-(2,2,2-Trifluoroethyl)-1,2,4-triazol-3-yl]methyl]piperidine
CID 170069604
6-[[1-(2,2,2-Trifluoroethyl)-1,2,4-triazol-3-yl]methyl]-2-azaspiro[3.3]heptane
CID 170784706
6-[3-(Difluoromethyl)-1,2,4-triazol-1-yl]-2-azaspiro[3.3]heptane
CID 171533053
6-[[5-(Trifluoromethyl)-1,2,4-triazol-1-yl]methyl]-2-azaspiro[3.3]heptane
CID 175996733
[1-(2,2-Difluoroethyl)-1,2,4-triazol-3-yl]methanamine
CID 62950883
[1-(3,3,3-Trifluoropropyl)-1,2,4-triazol-3-yl]methanamine
CID 64565959

Frequently Asked Questions

What is the IUPAC name of [1-[(3,3-difluorocyclobutyl)methyl]-1,2,4-triazol-3-yl]methanamine?
The IUPAC name of [1-[(3,3-difluorocyclobutyl)methyl]-1,2,4-triazol-3-yl]methanamine (CID 131138350) is [1-[(3,3-difluorocyclobutyl)methyl]-1,2,4-triazol-3-yl]methanamine.
What is the SMILES notation for [1-[(3,3-difluorocyclobutyl)methyl]-1,2,4-triazol-3-yl]methanamine?
The canonical SMILES for [1-[(3,3-difluorocyclobutyl)methyl]-1,2,4-triazol-3-yl]methanamine is NCc1ncn(CC2CC(F)(F)C2)n1.
What is the InChIKey of [1-[(3,3-difluorocyclobutyl)methyl]-1,2,4-triazol-3-yl]methanamine?
The InChIKey is FODDWGIXXLQLSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2N4/c9-8(10)1-6(2-8)4-14-5-12-7(3-11)13-14/h5-6H,1-4,11H2.
What are the key properties of [1-[(3,3-difluorocyclobutyl)methyl]-1,2,4-triazol-3-yl]methanamine?
[1-[(3,3-difluorocyclobutyl)methyl]-1,2,4-triazol-3-yl]methanamine has a molecular weight of 202.21 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3,3-difluorocyclobutyl)methyl]-1,2,4-triazol-3-yl]methanamine is sourced from PubChem (CID 131138350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).