N-propan-2-yl-N-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)tetrazolo[1,5-a]quinolin-7-amine

C15H13F6N5 — CID 142728135

IUPACN-propan-2-yl-N-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)tetrazolo[1,5-a]quinolin-7-amine
SMILESCC(C)N(CC(F)(F)F)c1ccc2c(c1)c(C(F)(F)F)cc1nnnn12
InChIInChI=1S/C15H13F6N5/c1-8(2)25(7-14(16,17)18)9-3-4-12-10(5-9)11(15(19,20)21)6-13-22-23-24-26(12)13/h3-6,8H,7H2,1-2H3
InChIKeyMAGJJOZMXWXVJS-UHFFFAOYSA-N
MW377.29 g/mol
LogP4.07
Rot. Bonds3

About N-propan-2-yl-N-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)tetrazolo[1,5-a]quinolin-7-amine

N-propan-2-yl-N-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)tetrazolo[1,5-a]quinolin-7-amine (PubChem CID 142728135) has the molecular formula C15H13F6N5 and a molecular weight of 377.29 g/mol. Its IUPAC name is N-propan-2-yl-N-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)tetrazolo[1,5-a]quinolin-7-amine.

Molecular Properties

Compound NameN-propan-2-yl-N-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)tetrazolo[1,5-a]quinolin-7-amine
PubChem CID142728135
Molecular FormulaC15H13F6N5
Molecular Weight377.29 g/mol
Exact Mass377.11
IUPAC NameN-propan-2-yl-N-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)tetrazolo[1,5-a]quinolin-7-amine
SMILESCC(C)N(CC(F)(F)F)c1ccc2c(c1)c(C(F)(F)F)cc1nnnn12
InChIInChI=1S/C15H13F6N5/c1-8(2)25(7-14(16,17)18)9-3-4-12-10(5-9)11(15(19,20)21)6-13-22-23-24-26(12)13/h3-6,8H,7H2,1-2H3
InChIKeyMAGJJOZMXWXVJS-UHFFFAOYSA-N
XLogP4.07
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.29
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-propan-2-yl-N-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)tetrazolo[1,5-a]quinolin-7-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-N-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)tetrazolo[1,5-a]quinolin-7-amine?
The IUPAC name of N-propan-2-yl-N-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)tetrazolo[1,5-a]quinolin-7-amine (CID 142728135) is N-propan-2-yl-N-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)tetrazolo[1,5-a]quinolin-7-amine.
What is the SMILES notation for N-propan-2-yl-N-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)tetrazolo[1,5-a]quinolin-7-amine?
The canonical SMILES for N-propan-2-yl-N-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)tetrazolo[1,5-a]quinolin-7-amine is CC(C)N(CC(F)(F)F)c1ccc2c(c1)c(C(F)(F)F)cc1nnnn12.
What is the InChIKey of N-propan-2-yl-N-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)tetrazolo[1,5-a]quinolin-7-amine?
The InChIKey is MAGJJOZMXWXVJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F6N5/c1-8(2)25(7-14(16,17)18)9-3-4-12-10(5-9)11(15(19,20)21)6-13-22-23-24-26(12)13/h3-6,8H,7H2,1-2H3.
What are the key properties of N-propan-2-yl-N-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)tetrazolo[1,5-a]quinolin-7-amine?
N-propan-2-yl-N-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)tetrazolo[1,5-a]quinolin-7-amine has a molecular weight of 377.29 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-N-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)tetrazolo[1,5-a]quinolin-7-amine is sourced from PubChem (CID 142728135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).