N-methyl-1-[1-[[3-(trifluoromethyl)phenyl]methyl]tetrazol-5-yl]methanamine

C11H12F3N5 — CID 55109247

IUPACN-methyl-1-[1-[[3-(trifluoromethyl)phenyl]methyl]tetrazol-5-yl]methanamine
SMILESCNCc1nnnn1Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H12F3N5/c1-15-6-10-16-17-18-19(10)7-8-3-2-4-9(5-8)11(12,13)14/h2-5,15H,6-7H2,1H3
InChIKeyPFQMAVVHQXOVTB-UHFFFAOYSA-N
MW271.25 g/mol
LogP1.46
Rot. Bonds4

About N-methyl-1-[1-[[3-(trifluoromethyl)phenyl]methyl]tetrazol-5-yl]methanamine

N-methyl-1-[1-[[3-(trifluoromethyl)phenyl]methyl]tetrazol-5-yl]methanamine (PubChem CID 55109247) has the molecular formula C11H12F3N5 and a molecular weight of 271.25 g/mol. Its IUPAC name is N-methyl-1-[1-[[3-(trifluoromethyl)phenyl]methyl]tetrazol-5-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-[[3-(trifluoromethyl)phenyl]methyl]tetrazol-5-yl]methanamine
PubChem CID55109247
Molecular FormulaC11H12F3N5
Molecular Weight271.25 g/mol
Exact Mass271.10
IUPAC NameN-methyl-1-[1-[[3-(trifluoromethyl)phenyl]methyl]tetrazol-5-yl]methanamine
SMILESCNCc1nnnn1Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H12F3N5/c1-15-6-10-16-17-18-19(10)7-8-3-2-4-9(5-8)11(12,13)14/h2-5,15H,6-7H2,1H3
InChIKeyPFQMAVVHQXOVTB-UHFFFAOYSA-N
XLogP1.46
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.25
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-1-[1-[[3-(trifluoromethyl)phenyl]methyl]tetrazol-5-yl]ethanamine
CID 103085277
N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine;molecular hydrogen
CID 145483676
2-[1-[[3-(trifluoromethyl)phenyl]methyl]tetrazol-5-yl]sulfanylacetic acid
CID 29070293
1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]tetrazol-5-amine
CID 61225671
1-benzyl-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]tetrazole
CID 52529564
N-[[1-[(3-bromophenyl)methyl]tetrazol-5-yl]methyl]propan-1-amine
CID 62762781
N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 23512860
3,5-dibromo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole
CID 114692714
5-chloro-4-methoxy-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole
CID 117232554
1-[[3-(trifluoromethyl)phenyl]methyl]triazolo[4,5-c]pyridine
CID 117159469
4-iodo-3,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole
CID 79785518
N-methyl-1-[1-(4,4,4-trifluorobutyl)tetrazol-5-yl]methanamine
CID 115522291

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-[[3-(trifluoromethyl)phenyl]methyl]tetrazol-5-yl]methanamine?
The IUPAC name of N-methyl-1-[1-[[3-(trifluoromethyl)phenyl]methyl]tetrazol-5-yl]methanamine (CID 55109247) is N-methyl-1-[1-[[3-(trifluoromethyl)phenyl]methyl]tetrazol-5-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-[[3-(trifluoromethyl)phenyl]methyl]tetrazol-5-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-[[3-(trifluoromethyl)phenyl]methyl]tetrazol-5-yl]methanamine is CNCc1nnnn1Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-methyl-1-[1-[[3-(trifluoromethyl)phenyl]methyl]tetrazol-5-yl]methanamine?
The InChIKey is PFQMAVVHQXOVTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N5/c1-15-6-10-16-17-18-19(10)7-8-3-2-4-9(5-8)11(12,13)14/h2-5,15H,6-7H2,1H3.
What are the key properties of N-methyl-1-[1-[[3-(trifluoromethyl)phenyl]methyl]tetrazol-5-yl]methanamine?
N-methyl-1-[1-[[3-(trifluoromethyl)phenyl]methyl]tetrazol-5-yl]methanamine has a molecular weight of 271.25 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-[[3-(trifluoromethyl)phenyl]methyl]tetrazol-5-yl]methanamine is sourced from PubChem (CID 55109247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).