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

C12H15F3N6 — CID 107066372

IUPAC2-[1-hydrazinyl-2-(1-methyltriazol-4-yl)ethyl]-4-(trifluoromethyl)aniline
SMILESCn1cc(CC(NN)c2cc(C(F)(F)F)ccc2N)nn1
InChIInChI=1S/C12H15F3N6/c1-21-6-8(19-20-21)5-11(18-17)9-4-7(12(13,14)15)2-3-10(9)16/h2-4,6,11,18H,5,16-17H2,1H3
InChIKeyIFKKJUWFIPDNTI-UHFFFAOYSA-N
MW300.29 g/mol
LogP1.16
Rot. Bonds4

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

2-[1-hydrazinyl-2-(1-methyltriazol-4-yl)ethyl]-4-(trifluoromethyl)aniline (PubChem CID 107066372) has the molecular formula C12H15F3N6 and a molecular weight of 300.29 g/mol. Its IUPAC name is 2-[1-hydrazinyl-2-(1-methyltriazol-4-yl)ethyl]-4-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-[1-hydrazinyl-2-(1-methyltriazol-4-yl)ethyl]-4-(trifluoromethyl)aniline
PubChem CID107066372
Molecular FormulaC12H15F3N6
Molecular Weight300.29 g/mol
Exact Mass300.13
IUPAC Name2-[1-hydrazinyl-2-(1-methyltriazol-4-yl)ethyl]-4-(trifluoromethyl)aniline
SMILESCn1cc(CC(NN)c2cc(C(F)(F)F)ccc2N)nn1
InChIInChI=1S/C12H15F3N6/c1-21-6-8(19-20-21)5-11(18-17)9-4-7(12(13,14)15)2-3-10(9)16/h2-4,6,11,18H,5,16-17H2,1H3
InChIKeyIFKKJUWFIPDNTI-UHFFFAOYSA-N
XLogP1.16
TPSA94.78 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.29
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-(2-methyltetrazol-5-yl)ethyl]-4-(trifluoromethyl)aniline
CID 107066373
[1-(2,4-dichlorophenyl)-2-(1-methyltriazol-4-yl)ethyl]hydrazine
CID 107066602
2-(1-hydrazinylpentyl)-4-(trifluoromethyl)aniline
CID 105264836
[1-(2,4-dimethoxyphenyl)-2-(1-methyltriazol-4-yl)ethyl]hydrazine
CID 107066553
[1-(3,4-dichlorophenyl)-2-(1-methyltriazol-4-yl)ethyl]hydrazine
CID 107066319
[1-(4-bromo-2,6-difluorophenyl)-2-(1-methyltriazol-4-yl)ethyl]hydrazine
CID 107066747
2-[2-(4-bromothiophen-2-yl)-1-hydrazinylethyl]-4-(trifluoromethyl)aniline
CID 105264927
[1-(4-methoxyphenyl)-2-(1-methyltriazol-4-yl)ethyl]hydrazine
CID 107065873
[2-(1-methyltriazol-4-yl)-1-(thiadiazol-5-yl)ethyl]hydrazine
CID 107066667
[2-(1-methyltriazol-4-yl)-1-pyridin-2-ylethyl]hydrazine
CID 107065906
[2-(1-methyltriazol-4-yl)-1-quinoxalin-2-ylethyl]hydrazine
CID 107357968
[1-(5-iodothiophen-3-yl)-2-(1-methyltriazol-4-yl)ethyl]hydrazine
CID 107066621

Frequently Asked Questions

What is the IUPAC name of 2-[1-hydrazinyl-2-(1-methyltriazol-4-yl)ethyl]-4-(trifluoromethyl)aniline?
The IUPAC name of 2-[1-hydrazinyl-2-(1-methyltriazol-4-yl)ethyl]-4-(trifluoromethyl)aniline (CID 107066372) is 2-[1-hydrazinyl-2-(1-methyltriazol-4-yl)ethyl]-4-(trifluoromethyl)aniline.
What is the SMILES notation for 2-[1-hydrazinyl-2-(1-methyltriazol-4-yl)ethyl]-4-(trifluoromethyl)aniline?
The canonical SMILES for 2-[1-hydrazinyl-2-(1-methyltriazol-4-yl)ethyl]-4-(trifluoromethyl)aniline is Cn1cc(CC(NN)c2cc(C(F)(F)F)ccc2N)nn1.
What is the InChIKey of 2-[1-hydrazinyl-2-(1-methyltriazol-4-yl)ethyl]-4-(trifluoromethyl)aniline?
The InChIKey is IFKKJUWFIPDNTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N6/c1-21-6-8(19-20-21)5-11(18-17)9-4-7(12(13,14)15)2-3-10(9)16/h2-4,6,11,18H,5,16-17H2,1H3.
What are the key properties of 2-[1-hydrazinyl-2-(1-methyltriazol-4-yl)ethyl]-4-(trifluoromethyl)aniline?
2-[1-hydrazinyl-2-(1-methyltriazol-4-yl)ethyl]-4-(trifluoromethyl)aniline has a molecular weight of 300.29 g/mol, XLogP of 1.16, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-hydrazinyl-2-(1-methyltriazol-4-yl)ethyl]-4-(trifluoromethyl)aniline is sourced from PubChem (CID 107066372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).