N,N-dimethyl-1-[4-(trifluoromethoxy)phenyl]tetrazol-5-amine

C10H10F3N5O — CID 1475259

IUPACN,N-dimethyl-1-[4-(trifluoromethoxy)phenyl]tetrazol-5-amine
SMILESCN(C)c1nnnn1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C10H10F3N5O/c1-17(2)9-14-15-16-18(9)7-3-5-8(6-4-7)19-10(11,12)13/h3-6H,1-2H3
InChIKeyHBOZHKWNTVJHSP-UHFFFAOYSA-N
MW273.22 g/mol
LogP1.63
Rot. Bonds3

About N,N-dimethyl-1-[4-(trifluoromethoxy)phenyl]tetrazol-5-amine

N,N-dimethyl-1-[4-(trifluoromethoxy)phenyl]tetrazol-5-amine (PubChem CID 1475259) has the molecular formula C10H10F3N5O and a molecular weight of 273.22 g/mol. Its IUPAC name is N,N-dimethyl-1-[4-(trifluoromethoxy)phenyl]tetrazol-5-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-[4-(trifluoromethoxy)phenyl]tetrazol-5-amine
PubChem CID1475259
Molecular FormulaC10H10F3N5O
Molecular Weight273.22 g/mol
Exact Mass273.08
IUPAC NameN,N-dimethyl-1-[4-(trifluoromethoxy)phenyl]tetrazol-5-amine
SMILESCN(C)c1nnnn1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C10H10F3N5O/c1-17(2)9-14-15-16-18(9)7-3-5-8(6-4-7)19-10(11,12)13/h3-6H,1-2H3
InChIKeyHBOZHKWNTVJHSP-UHFFFAOYSA-N
XLogP1.63
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.22
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[4-(trifluoromethoxy)phenyl]tetrazol-5-amine?
The IUPAC name of N,N-dimethyl-1-[4-(trifluoromethoxy)phenyl]tetrazol-5-amine (CID 1475259) is N,N-dimethyl-1-[4-(trifluoromethoxy)phenyl]tetrazol-5-amine.
What is the SMILES notation for N,N-dimethyl-1-[4-(trifluoromethoxy)phenyl]tetrazol-5-amine?
The canonical SMILES for N,N-dimethyl-1-[4-(trifluoromethoxy)phenyl]tetrazol-5-amine is CN(C)c1nnnn1-c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N,N-dimethyl-1-[4-(trifluoromethoxy)phenyl]tetrazol-5-amine?
The InChIKey is HBOZHKWNTVJHSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N5O/c1-17(2)9-14-15-16-18(9)7-3-5-8(6-4-7)19-10(11,12)13/h3-6H,1-2H3.
What are the key properties of N,N-dimethyl-1-[4-(trifluoromethoxy)phenyl]tetrazol-5-amine?
N,N-dimethyl-1-[4-(trifluoromethoxy)phenyl]tetrazol-5-amine has a molecular weight of 273.22 g/mol, XLogP of 1.63, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[4-(trifluoromethoxy)phenyl]tetrazol-5-amine is sourced from PubChem (CID 1475259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).