N-methyl-1-[1-(4,4,4-trifluorobutyl)tetrazol-5-yl]methanamine

C7H12F3N5 — CID 115522291

IUPACN-methyl-1-[1-(4,4,4-trifluorobutyl)tetrazol-5-yl]methanamine
SMILESCNCc1nnnn1CCCC(F)(F)F
InChIInChI=1S/C7H12F3N5/c1-11-5-6-12-13-14-15(6)4-2-3-7(8,9)10/h11H,2-5H2,1H3
InChIKeyWUQXEEHBWJXMLC-UHFFFAOYSA-N
MW223.20 g/mol
LogP0.74
Rot. Bonds5

About N-methyl-1-[1-(4,4,4-trifluorobutyl)tetrazol-5-yl]methanamine

N-methyl-1-[1-(4,4,4-trifluorobutyl)tetrazol-5-yl]methanamine (PubChem CID 115522291) has the molecular formula C7H12F3N5 and a molecular weight of 223.20 g/mol. Its IUPAC name is N-methyl-1-[1-(4,4,4-trifluorobutyl)tetrazol-5-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-(4,4,4-trifluorobutyl)tetrazol-5-yl]methanamine
PubChem CID115522291
Molecular FormulaC7H12F3N5
Molecular Weight223.20 g/mol
Exact Mass223.10
IUPAC NameN-methyl-1-[1-(4,4,4-trifluorobutyl)tetrazol-5-yl]methanamine
SMILESCNCc1nnnn1CCCC(F)(F)F
InChIInChI=1S/C7H12F3N5/c1-11-5-6-12-13-14-15(6)4-2-3-7(8,9)10/h11H,2-5H2,1H3
InChIKeyWUQXEEHBWJXMLC-UHFFFAOYSA-N
XLogP0.74
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.20
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(3,3,3-trifluoropropyl)tetrazol-5-yl]methyl]ethanamine
CID 63227938
N-[[1-(3,3,3-trifluoropropyl)tetrazol-5-yl]methyl]propan-2-amine
CID 63228032
N-methyl-1-[1-(2-methylsulfanylethyl)tetrazol-5-yl]methanamine
CID 63958072
N-methyl-1-[1-(4,4,4-trifluorobutyl)tetrazol-5-yl]ethanamine
CID 103086701
N-methyl-1-[1-(2-propan-2-yloxyethyl)tetrazol-5-yl]methanamine
CID 104766003
N-methyl-1-[1-(5,5,5-trifluoropentyl)tetrazol-5-yl]ethanamine
CID 103086706
N-methyl-1-[1-(4,4,4-trifluorobutyl)triazol-4-yl]methanamine
CID 115519644
N-methyl-1-[1-[2-(3-methylbutoxy)ethyl]tetrazol-5-yl]methanamine
CID 62762419
1-[3,5-diethyl-1-(4,4,4-trifluorobutyl)pyrazol-4-yl]-N-methylmethanamine
CID 82697614
1-[1-(2-ethoxy-2-methylpropyl)tetrazol-5-yl]-N-methylmethanamine
CID 114944254
N-methyl-1-[1-[[3-(trifluoromethyl)phenyl]methyl]tetrazol-5-yl]methanamine
CID 55109247
1-pentyl-5-[(1-pentyltetrazol-5-yl)methyl]tetrazole
CID 67260727

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(4,4,4-trifluorobutyl)tetrazol-5-yl]methanamine?
The IUPAC name of N-methyl-1-[1-(4,4,4-trifluorobutyl)tetrazol-5-yl]methanamine (CID 115522291) is N-methyl-1-[1-(4,4,4-trifluorobutyl)tetrazol-5-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-(4,4,4-trifluorobutyl)tetrazol-5-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-(4,4,4-trifluorobutyl)tetrazol-5-yl]methanamine is CNCc1nnnn1CCCC(F)(F)F.
What is the InChIKey of N-methyl-1-[1-(4,4,4-trifluorobutyl)tetrazol-5-yl]methanamine?
The InChIKey is WUQXEEHBWJXMLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3N5/c1-11-5-6-12-13-14-15(6)4-2-3-7(8,9)10/h11H,2-5H2,1H3.
What are the key properties of N-methyl-1-[1-(4,4,4-trifluorobutyl)tetrazol-5-yl]methanamine?
N-methyl-1-[1-(4,4,4-trifluorobutyl)tetrazol-5-yl]methanamine has a molecular weight of 223.20 g/mol, XLogP of 0.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(4,4,4-trifluorobutyl)tetrazol-5-yl]methanamine is sourced from PubChem (CID 115522291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).