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

C7H12F3N5 — CID 107064955

IUPACN-ethyl-1,1,1-trifluoro-3-(2-methyltetrazol-5-yl)propan-2-amine
SMILESCCNC(Cc1nnn(C)n1)C(F)(F)F
InChIInChI=1S/C7H12F3N5/c1-3-11-5(7(8,9)10)4-6-12-14-15(2)13-6/h5,11H,3-4H2,1-2H3
InChIKeyREXQQUDQCOWPNF-UHFFFAOYSA-N
MW223.20 g/mol
LogP0.29
Rot. Bonds4

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

N-ethyl-1,1,1-trifluoro-3-(2-methyltetrazol-5-yl)propan-2-amine (PubChem CID 107064955) has the molecular formula C7H12F3N5 and a molecular weight of 223.20 g/mol. Its IUPAC name is N-ethyl-1,1,1-trifluoro-3-(2-methyltetrazol-5-yl)propan-2-amine.

Molecular Properties

Compound NameN-ethyl-1,1,1-trifluoro-3-(2-methyltetrazol-5-yl)propan-2-amine
PubChem CID107064955
Molecular FormulaC7H12F3N5
Molecular Weight223.20 g/mol
Exact Mass223.10
IUPAC NameN-ethyl-1,1,1-trifluoro-3-(2-methyltetrazol-5-yl)propan-2-amine
SMILESCCNC(Cc1nnn(C)n1)C(F)(F)F
InChIInChI=1S/C7H12F3N5/c1-3-11-5(7(8,9)10)4-6-12-14-15(2)13-6/h5,11H,3-4H2,1-2H3
InChIKeyREXQQUDQCOWPNF-UHFFFAOYSA-N
XLogP0.29
TPSA55.63 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 ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1,1,1-trifluoro-3-(2-methyltetrazol-5-yl)propan-2-amine?
The IUPAC name of N-ethyl-1,1,1-trifluoro-3-(2-methyltetrazol-5-yl)propan-2-amine (CID 107064955) is N-ethyl-1,1,1-trifluoro-3-(2-methyltetrazol-5-yl)propan-2-amine.
What is the SMILES notation for N-ethyl-1,1,1-trifluoro-3-(2-methyltetrazol-5-yl)propan-2-amine?
The canonical SMILES for N-ethyl-1,1,1-trifluoro-3-(2-methyltetrazol-5-yl)propan-2-amine is CCNC(Cc1nnn(C)n1)C(F)(F)F.
What is the InChIKey of N-ethyl-1,1,1-trifluoro-3-(2-methyltetrazol-5-yl)propan-2-amine?
The InChIKey is REXQQUDQCOWPNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3N5/c1-3-11-5(7(8,9)10)4-6-12-14-15(2)13-6/h5,11H,3-4H2,1-2H3.
What are the key properties of N-ethyl-1,1,1-trifluoro-3-(2-methyltetrazol-5-yl)propan-2-amine?
N-ethyl-1,1,1-trifluoro-3-(2-methyltetrazol-5-yl)propan-2-amine has a molecular weight of 223.20 g/mol, XLogP of 0.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1,1,1-trifluoro-3-(2-methyltetrazol-5-yl)propan-2-amine is sourced from PubChem (CID 107064955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).