4-[5-(trifluoromethyl)tetrazol-2-yl]butan-1-amine

C6H10F3N5 — CID 142811269

IUPAC4-[5-(trifluoromethyl)tetrazol-2-yl]butan-1-amine
SMILESNCCCCn1nnc(C(F)(F)F)n1
InChIInChI=1S/C6H10F3N5/c7-6(8,9)5-11-13-14(12-5)4-2-1-3-10/h1-4,10H2
InChIKeyAZDOTOOUSCJJEI-UHFFFAOYSA-N
MW209.17 g/mol
LogP0.43
Rot. Bonds4

About 4-[5-(trifluoromethyl)tetrazol-2-yl]butan-1-amine

4-[5-(trifluoromethyl)tetrazol-2-yl]butan-1-amine (PubChem CID 142811269) has the molecular formula C6H10F3N5 and a molecular weight of 209.17 g/mol. Its IUPAC name is 4-[5-(trifluoromethyl)tetrazol-2-yl]butan-1-amine.

Molecular Properties

Compound Name4-[5-(trifluoromethyl)tetrazol-2-yl]butan-1-amine
PubChem CID142811269
Molecular FormulaC6H10F3N5
Molecular Weight209.17 g/mol
Exact Mass209.09
IUPAC Name4-[5-(trifluoromethyl)tetrazol-2-yl]butan-1-amine
SMILESNCCCCn1nnc(C(F)(F)F)n1
InChIInChI=1S/C6H10F3N5/c7-6(8,9)5-11-13-14(12-5)4-2-1-3-10/h1-4,10H2
InChIKeyAZDOTOOUSCJJEI-UHFFFAOYSA-N
XLogP0.43
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.17
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(trifluoromethyl)tetrazol-2-yl]butan-1-amine?
The IUPAC name of 4-[5-(trifluoromethyl)tetrazol-2-yl]butan-1-amine (CID 142811269) is 4-[5-(trifluoromethyl)tetrazol-2-yl]butan-1-amine.
What is the SMILES notation for 4-[5-(trifluoromethyl)tetrazol-2-yl]butan-1-amine?
The canonical SMILES for 4-[5-(trifluoromethyl)tetrazol-2-yl]butan-1-amine is NCCCCn1nnc(C(F)(F)F)n1.
What is the InChIKey of 4-[5-(trifluoromethyl)tetrazol-2-yl]butan-1-amine?
The InChIKey is AZDOTOOUSCJJEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3N5/c7-6(8,9)5-11-13-14(12-5)4-2-1-3-10/h1-4,10H2.
What are the key properties of 4-[5-(trifluoromethyl)tetrazol-2-yl]butan-1-amine?
4-[5-(trifluoromethyl)tetrazol-2-yl]butan-1-amine has a molecular weight of 209.17 g/mol, XLogP of 0.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(trifluoromethyl)tetrazol-2-yl]butan-1-amine is sourced from PubChem (CID 142811269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).