5,5,5-trifluoro-1-(2-methyltetrazol-5-yl)pentan-2-amine

C7H12F3N5 — CID 107050234

IUPAC5,5,5-trifluoro-1-(2-methyltetrazol-5-yl)pentan-2-amine
SMILESCn1nnc(CC(N)CCC(F)(F)F)n1
InChIInChI=1S/C7H12F3N5/c1-15-13-6(12-14-15)4-5(11)2-3-7(8,9)10/h5H,2-4,11H2,1H3
InChIKeyLKYAASXBEVATLV-UHFFFAOYSA-N
MW223.20 g/mol
LogP0.42
Rot. Bonds4

About 5,5,5-trifluoro-1-(2-methyltetrazol-5-yl)pentan-2-amine

5,5,5-trifluoro-1-(2-methyltetrazol-5-yl)pentan-2-amine (PubChem CID 107050234) has the molecular formula C7H12F3N5 and a molecular weight of 223.20 g/mol. Its IUPAC name is 5,5,5-trifluoro-1-(2-methyltetrazol-5-yl)pentan-2-amine.

Molecular Properties

Compound Name5,5,5-trifluoro-1-(2-methyltetrazol-5-yl)pentan-2-amine
PubChem CID107050234
Molecular FormulaC7H12F3N5
Molecular Weight223.20 g/mol
Exact Mass223.10
IUPAC Name5,5,5-trifluoro-1-(2-methyltetrazol-5-yl)pentan-2-amine
SMILESCn1nnc(CC(N)CCC(F)(F)F)n1
InChIInChI=1S/C7H12F3N5/c1-15-13-6(12-14-15)4-5(11)2-3-7(8,9)10/h5H,2-4,11H2,1H3
InChIKeyLKYAASXBEVATLV-UHFFFAOYSA-N
XLogP0.42
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.20
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-1-(2-methyltetrazol-5-yl)pentan-2-amine?
The IUPAC name of 5,5,5-trifluoro-1-(2-methyltetrazol-5-yl)pentan-2-amine (CID 107050234) is 5,5,5-trifluoro-1-(2-methyltetrazol-5-yl)pentan-2-amine.
What is the SMILES notation for 5,5,5-trifluoro-1-(2-methyltetrazol-5-yl)pentan-2-amine?
The canonical SMILES for 5,5,5-trifluoro-1-(2-methyltetrazol-5-yl)pentan-2-amine is Cn1nnc(CC(N)CCC(F)(F)F)n1.
What is the InChIKey of 5,5,5-trifluoro-1-(2-methyltetrazol-5-yl)pentan-2-amine?
The InChIKey is LKYAASXBEVATLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3N5/c1-15-13-6(12-14-15)4-5(11)2-3-7(8,9)10/h5H,2-4,11H2,1H3.
What are the key properties of 5,5,5-trifluoro-1-(2-methyltetrazol-5-yl)pentan-2-amine?
5,5,5-trifluoro-1-(2-methyltetrazol-5-yl)pentan-2-amine has a molecular weight of 223.20 g/mol, XLogP of 0.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-1-(2-methyltetrazol-5-yl)pentan-2-amine is sourced from PubChem (CID 107050234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).