4,4,4-trifluoro-1-(3-methyltriazol-4-yl)butan-1-amine

C7H11F3N4 — CID 114688588

IUPAC4,4,4-trifluoro-1-(3-methyltriazol-4-yl)butan-1-amine
SMILESCn1nncc1C(N)CCC(F)(F)F
InChIInChI=1S/C7H11F3N4/c1-14-6(4-12-13-14)5(11)2-3-7(8,9)10/h4-5H,2-3,11H2,1H3
InChIKeyWUDJBPKATJSAEB-UHFFFAOYSA-N
MW208.19 g/mol
LogP1.16
Rot. Bonds3

About 4,4,4-trifluoro-1-(3-methyltriazol-4-yl)butan-1-amine

4,4,4-trifluoro-1-(3-methyltriazol-4-yl)butan-1-amine (PubChem CID 114688588) has the molecular formula C7H11F3N4 and a molecular weight of 208.19 g/mol. Its IUPAC name is 4,4,4-trifluoro-1-(3-methyltriazol-4-yl)butan-1-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-1-(3-methyltriazol-4-yl)butan-1-amine
PubChem CID114688588
Molecular FormulaC7H11F3N4
Molecular Weight208.19 g/mol
Exact Mass208.09
IUPAC Name4,4,4-trifluoro-1-(3-methyltriazol-4-yl)butan-1-amine
SMILESCn1nncc1C(N)CCC(F)(F)F
InChIInChI=1S/C7H11F3N4/c1-14-6(4-12-13-14)5(11)2-3-7(8,9)10/h4-5H,2-3,11H2,1H3
InChIKeyWUDJBPKATJSAEB-UHFFFAOYSA-N
XLogP1.16
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.19
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-1-(3-methyltriazol-4-yl)butan-1-amine
CID 114686985
1-(3-methyltriazol-4-yl)-3-phenylpropan-1-amine
CID 114687299
1-(1,5-dimethylpyrazol-4-yl)-4,4,4-trifluorobutan-1-amine
CID 105156405
3-amino-3-(3-methyltriazol-4-yl)propanoic acid
CID 131049940
3-(4-methoxyphenyl)-1-(3-methyltriazol-4-yl)propan-1-amine
CID 105043651
2-(azetidin-1-yl)-1-(3-methyltriazol-4-yl)ethanamine
CID 131011065
1-(3-methyltriazol-4-yl)-2-pyrrolidin-1-ylethanamine
CID 130730117
1-(3-methyltriazol-4-yl)-2-propylpentan-1-amine
CID 105043778
1-(3-methyltriazol-4-yl)-3-(oxolan-2-yl)propan-1-amine
CID 105043604
[2-fluoro-3-(trifluoromethyl)phenyl]-(3-methyltriazol-4-yl)methanamine
CID 114688634
4,4,4-trifluoro-1-(2-propylpyrazol-3-yl)butan-1-amine
CID 79952578
2-(3-methyltriazol-4-yl)propan-1-amine
CID 114691377

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-1-(3-methyltriazol-4-yl)butan-1-amine?
The IUPAC name of 4,4,4-trifluoro-1-(3-methyltriazol-4-yl)butan-1-amine (CID 114688588) is 4,4,4-trifluoro-1-(3-methyltriazol-4-yl)butan-1-amine.
What is the SMILES notation for 4,4,4-trifluoro-1-(3-methyltriazol-4-yl)butan-1-amine?
The canonical SMILES for 4,4,4-trifluoro-1-(3-methyltriazol-4-yl)butan-1-amine is Cn1nncc1C(N)CCC(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-1-(3-methyltriazol-4-yl)butan-1-amine?
The InChIKey is WUDJBPKATJSAEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N4/c1-14-6(4-12-13-14)5(11)2-3-7(8,9)10/h4-5H,2-3,11H2,1H3.
What are the key properties of 4,4,4-trifluoro-1-(3-methyltriazol-4-yl)butan-1-amine?
4,4,4-trifluoro-1-(3-methyltriazol-4-yl)butan-1-amine has a molecular weight of 208.19 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-1-(3-methyltriazol-4-yl)butan-1-amine is sourced from PubChem (CID 114688588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).