2-[1-hydrazinyl-2-(2-methyltetrazol-5-yl)ethyl]-4-(trifluoromethyl)aniline

C11H14F3N7 — CID 107066373

IUPAC2-[1-hydrazinyl-2-(2-methyltetrazol-5-yl)ethyl]-4-(trifluoromethyl)aniline
SMILESCn1nnc(CC(NN)c2cc(C(F)(F)F)ccc2N)n1
InChIInChI=1S/C11H14F3N7/c1-21-19-10(18-20-21)5-9(17-16)7-4-6(11(12,13)14)2-3-8(7)15/h2-4,9,17H,5,15-16H2,1H3
InChIKeyNVUYHMFONXPBSC-UHFFFAOYSA-N
MW301.28 g/mol
LogP0.56
Rot. Bonds4

About 2-[1-hydrazinyl-2-(2-methyltetrazol-5-yl)ethyl]-4-(trifluoromethyl)aniline

2-[1-hydrazinyl-2-(2-methyltetrazol-5-yl)ethyl]-4-(trifluoromethyl)aniline (PubChem CID 107066373) has the molecular formula C11H14F3N7 and a molecular weight of 301.28 g/mol. Its IUPAC name is 2-[1-hydrazinyl-2-(2-methyltetrazol-5-yl)ethyl]-4-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-[1-hydrazinyl-2-(2-methyltetrazol-5-yl)ethyl]-4-(trifluoromethyl)aniline
PubChem CID107066373
Molecular FormulaC11H14F3N7
Molecular Weight301.28 g/mol
Exact Mass301.13
IUPAC Name2-[1-hydrazinyl-2-(2-methyltetrazol-5-yl)ethyl]-4-(trifluoromethyl)aniline
SMILESCn1nnc(CC(NN)c2cc(C(F)(F)F)ccc2N)n1
InChIInChI=1S/C11H14F3N7/c1-21-19-10(18-20-21)5-9(17-16)7-4-6(11(12,13)14)2-3-8(7)15/h2-4,9,17H,5,15-16H2,1H3
InChIKeyNVUYHMFONXPBSC-UHFFFAOYSA-N
XLogP0.56
TPSA107.67 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.28
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[1-hydrazinyl-2-(1-methyltriazol-4-yl)ethyl]-4-(trifluoromethyl)aniline
CID 107066372
5-chloro-2-[1-hydrazinyl-2-(2-methyltetrazol-5-yl)ethyl]aniline
CID 107066106
[1-(2-methyltetrazol-5-yl)-3-[4-(trifluoromethyl)phenyl]propan-2-yl]hydrazine
CID 107066944
N-methyl-2-(2-methyltetrazol-5-yl)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 107048370
[1-(2-chloro-4-fluorophenyl)-2-(2-methyltetrazol-5-yl)ethyl]hydrazine
CID 107066044
[1-(2,5-dibromophenyl)-2-(2-methyltetrazol-5-yl)ethyl]hydrazine
CID 107066786
[1-(2-bromo-4-methylphenyl)-2-(2-methyltetrazol-5-yl)ethyl]hydrazine
CID 107066919
2-(1-hydrazinylpentyl)-4-(trifluoromethyl)aniline
CID 105264836
[1-(5-bromo-2-chlorophenyl)-2-(2-methyltetrazol-5-yl)ethyl]hydrazine
CID 107066756
[1-(5-bromo-2-methoxyphenyl)-2-(2-methyltetrazol-5-yl)ethyl]hydrazine
CID 112742241
[2-(2-methyltetrazol-5-yl)-1-(2,4,6-trimethylphenyl)ethyl]hydrazine
CID 107066800
[1-(5-fluoro-3-pyridinyl)-2-(2-methyltetrazol-5-yl)ethyl]hydrazine
CID 107066996

Frequently Asked Questions

What is the IUPAC name of 2-[1-hydrazinyl-2-(2-methyltetrazol-5-yl)ethyl]-4-(trifluoromethyl)aniline?
The IUPAC name of 2-[1-hydrazinyl-2-(2-methyltetrazol-5-yl)ethyl]-4-(trifluoromethyl)aniline (CID 107066373) is 2-[1-hydrazinyl-2-(2-methyltetrazol-5-yl)ethyl]-4-(trifluoromethyl)aniline.
What is the SMILES notation for 2-[1-hydrazinyl-2-(2-methyltetrazol-5-yl)ethyl]-4-(trifluoromethyl)aniline?
The canonical SMILES for 2-[1-hydrazinyl-2-(2-methyltetrazol-5-yl)ethyl]-4-(trifluoromethyl)aniline is Cn1nnc(CC(NN)c2cc(C(F)(F)F)ccc2N)n1.
What is the InChIKey of 2-[1-hydrazinyl-2-(2-methyltetrazol-5-yl)ethyl]-4-(trifluoromethyl)aniline?
The InChIKey is NVUYHMFONXPBSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N7/c1-21-19-10(18-20-21)5-9(17-16)7-4-6(11(12,13)14)2-3-8(7)15/h2-4,9,17H,5,15-16H2,1H3.
What are the key properties of 2-[1-hydrazinyl-2-(2-methyltetrazol-5-yl)ethyl]-4-(trifluoromethyl)aniline?
2-[1-hydrazinyl-2-(2-methyltetrazol-5-yl)ethyl]-4-(trifluoromethyl)aniline has a molecular weight of 301.28 g/mol, XLogP of 0.56, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-hydrazinyl-2-(2-methyltetrazol-5-yl)ethyl]-4-(trifluoromethyl)aniline is sourced from PubChem (CID 107066373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).