1,1,1-trifluoro-3-(2-methyltetrazol-5-yl)propan-2-amine

C5H8F3N5 — CID 107064716

IUPAC1,1,1-trifluoro-3-(2-methyltetrazol-5-yl)propan-2-amine
SMILESCn1nnc(CC(N)C(F)(F)F)n1
InChIInChI=1S/C5H8F3N5/c1-13-11-4(10-12-13)2-3(9)5(6,7)8/h3H,2,9H2,1H3
InChIKeyLWFUZKZGCVMLRG-UHFFFAOYSA-N
MW195.15 g/mol
LogP-0.36
Rot. Bonds2

About 1,1,1-trifluoro-3-(2-methyltetrazol-5-yl)propan-2-amine

1,1,1-trifluoro-3-(2-methyltetrazol-5-yl)propan-2-amine (PubChem CID 107064716) has the molecular formula C5H8F3N5 and a molecular weight of 195.15 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-(2-methyltetrazol-5-yl)propan-2-amine.

Molecular Properties

Compound Name1,1,1-trifluoro-3-(2-methyltetrazol-5-yl)propan-2-amine
PubChem CID107064716
Molecular FormulaC5H8F3N5
Molecular Weight195.15 g/mol
Exact Mass195.07
IUPAC Name1,1,1-trifluoro-3-(2-methyltetrazol-5-yl)propan-2-amine
SMILESCn1nnc(CC(N)C(F)(F)F)n1
InChIInChI=1S/C5H8F3N5/c1-13-11-4(10-12-13)2-3(9)5(6,7)8/h3H,2,9H2,1H3
InChIKeyLWFUZKZGCVMLRG-UHFFFAOYSA-N
XLogP-0.36
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.15
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-(2-methyltetrazol-5-yl)propan-2-amine?
The IUPAC name of 1,1,1-trifluoro-3-(2-methyltetrazol-5-yl)propan-2-amine (CID 107064716) is 1,1,1-trifluoro-3-(2-methyltetrazol-5-yl)propan-2-amine.
What is the SMILES notation for 1,1,1-trifluoro-3-(2-methyltetrazol-5-yl)propan-2-amine?
The canonical SMILES for 1,1,1-trifluoro-3-(2-methyltetrazol-5-yl)propan-2-amine is Cn1nnc(CC(N)C(F)(F)F)n1.
What is the InChIKey of 1,1,1-trifluoro-3-(2-methyltetrazol-5-yl)propan-2-amine?
The InChIKey is LWFUZKZGCVMLRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3N5/c1-13-11-4(10-12-13)2-3(9)5(6,7)8/h3H,2,9H2,1H3.
What are the key properties of 1,1,1-trifluoro-3-(2-methyltetrazol-5-yl)propan-2-amine?
1,1,1-trifluoro-3-(2-methyltetrazol-5-yl)propan-2-amine has a molecular weight of 195.15 g/mol, XLogP of -0.36, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-(2-methyltetrazol-5-yl)propan-2-amine is sourced from PubChem (CID 107064716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).