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

C10H10F3N5 — CID 61225671

IUPAC1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]tetrazol-5-amine
SMILESCn1nnnc1NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C10H10F3N5/c1-18-9(15-16-17-18)14-6-7-3-2-4-8(5-7)10(11,12)13/h2-5H,6H2,1H3,(H,14,15,17)
InChIKeyDYHGNPRIVUUVKK-UHFFFAOYSA-N
MW257.22 g/mol
LogP1.84
Rot. Bonds3

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

1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]tetrazol-5-amine (PubChem CID 61225671) has the molecular formula C10H10F3N5 and a molecular weight of 257.22 g/mol. Its IUPAC name is 1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]tetrazol-5-amine.

Molecular Properties

Compound Name1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]tetrazol-5-amine
PubChem CID61225671
Molecular FormulaC10H10F3N5
Molecular Weight257.22 g/mol
Exact Mass257.09
IUPAC Name1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]tetrazol-5-amine
SMILESCn1nnnc1NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C10H10F3N5/c1-18-9(15-16-17-18)14-6-7-3-2-4-8(5-7)10(11,12)13/h2-5H,6H2,1H3,(H,14,15,17)
InChIKeyDYHGNPRIVUUVKK-UHFFFAOYSA-N
XLogP1.84
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.22
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-N-(pyridin-3-ylmethyl)tetrazol-5-amine
CID 18801252
1,3-dimethyl-5-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4,5-diamine
CID 43554040
N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 10658372
N-methyl-1-[1-[[3-(trifluoromethyl)phenyl]methyl]tetrazol-5-yl]methanamine
CID 55109247
N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine;molecular hydrogen
CID 145483676
5-bromo-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine
CID 63871875
3-[[3-(trifluoromethyl)phenyl]methylamino]pyrazine-2-carbothioamide
CID 62684775
N-[(2-chloro-6-fluorophenyl)methyl]-1-methyltetrazol-5-amine
CID 1251687
4-iodo-N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 28878737
3-(trifluoromethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 51300733
3-ethyl-6-[[3-(trifluoromethyl)phenyl]methylamino]-1H-pyrimidine-2,4-dione
CID 146334414
4-bromo-2,6-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 29016762

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]tetrazol-5-amine?
The IUPAC name of 1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]tetrazol-5-amine (CID 61225671) is 1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]tetrazol-5-amine.
What is the SMILES notation for 1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]tetrazol-5-amine?
The canonical SMILES for 1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]tetrazol-5-amine is Cn1nnnc1NCc1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]tetrazol-5-amine?
The InChIKey is DYHGNPRIVUUVKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N5/c1-18-9(15-16-17-18)14-6-7-3-2-4-8(5-7)10(11,12)13/h2-5H,6H2,1H3,(H,14,15,17).
What are the key properties of 1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]tetrazol-5-amine?
1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]tetrazol-5-amine has a molecular weight of 257.22 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]tetrazol-5-amine is sourced from PubChem (CID 61225671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).