(Z)-1-hydrazinyl-1-[4-methyl-5-(trifluoromethyl)-3a,4-dihydro-1H-indol-3-yl]prop-1-en-2-amine

C13H17F3N4 — CID 170147623

IUPAC(Z)-1-hydrazinyl-1-[4-methyl-5-(trifluoromethyl)-3a,4-dihydro-1H-indol-3-yl]prop-1-en-2-amine
SMILESC/C(N)=C(/NN)C1=CNC2=CC=C(C(F)(F)F)C(C)C21
InChIInChI=1S/C13H17F3N4/c1-6-9(13(14,15)16)3-4-10-11(6)8(5-19-10)12(20-18)7(2)17/h3-6,11,19-20H,17-18H2,1-2H3/b12-7-
InChIKeyNGVZPBUMTZMSTG-GHXNOFRVSA-N
MW286.30 g/mol
LogP1.77
Rot. Bonds2

About (Z)-1-hydrazinyl-1-[4-methyl-5-(trifluoromethyl)-3a,4-dihydro-1H-indol-3-yl]prop-1-en-2-amine

(Z)-1-hydrazinyl-1-[4-methyl-5-(trifluoromethyl)-3a,4-dihydro-1H-indol-3-yl]prop-1-en-2-amine (PubChem CID 170147623) has the molecular formula C13H17F3N4 and a molecular weight of 286.30 g/mol. Its IUPAC name is (Z)-1-hydrazinyl-1-[4-methyl-5-(trifluoromethyl)-3a,4-dihydro-1H-indol-3-yl]prop-1-en-2-amine.

Molecular Properties

Compound Name(Z)-1-hydrazinyl-1-[4-methyl-5-(trifluoromethyl)-3a,4-dihydro-1H-indol-3-yl]prop-1-en-2-amine
PubChem CID170147623
Molecular FormulaC13H17F3N4
Molecular Weight286.30 g/mol
Exact Mass286.14
IUPAC Name(Z)-1-hydrazinyl-1-[4-methyl-5-(trifluoromethyl)-3a,4-dihydro-1H-indol-3-yl]prop-1-en-2-amine
SMILESC/C(N)=C(/NN)C1=CNC2=CC=C(C(F)(F)F)C(C)C21
InChIInChI=1S/C13H17F3N4/c1-6-9(13(14,15)16)3-4-10-11(6)8(5-19-10)12(20-18)7(2)17/h3-6,11,19-20H,17-18H2,1-2H3/b12-7-
InChIKeyNGVZPBUMTZMSTG-GHXNOFRVSA-N
XLogP1.77
TPSA76.10 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 51.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-1-(2,3,3a,4-tetrahydro-1H-indazol-4-yl)-N-(2,2,2-trifluoroethyl)propan-2-amine
CID 170728245
2-(3a,4-dihydro-1H-indol-3-yl)ethylhydrazine
CID 118549003

Frequently Asked Questions

What is the IUPAC name of (Z)-1-hydrazinyl-1-[4-methyl-5-(trifluoromethyl)-3a,4-dihydro-1H-indol-3-yl]prop-1-en-2-amine?
The IUPAC name of (Z)-1-hydrazinyl-1-[4-methyl-5-(trifluoromethyl)-3a,4-dihydro-1H-indol-3-yl]prop-1-en-2-amine (CID 170147623) is (Z)-1-hydrazinyl-1-[4-methyl-5-(trifluoromethyl)-3a,4-dihydro-1H-indol-3-yl]prop-1-en-2-amine.
What is the SMILES notation for (Z)-1-hydrazinyl-1-[4-methyl-5-(trifluoromethyl)-3a,4-dihydro-1H-indol-3-yl]prop-1-en-2-amine?
The canonical SMILES for (Z)-1-hydrazinyl-1-[4-methyl-5-(trifluoromethyl)-3a,4-dihydro-1H-indol-3-yl]prop-1-en-2-amine is C/C(N)=C(/NN)C1=CNC2=CC=C(C(F)(F)F)C(C)C21.
What is the InChIKey of (Z)-1-hydrazinyl-1-[4-methyl-5-(trifluoromethyl)-3a,4-dihydro-1H-indol-3-yl]prop-1-en-2-amine?
The InChIKey is NGVZPBUMTZMSTG-GHXNOFRVSA-N. The full InChI is InChI=1S/C13H17F3N4/c1-6-9(13(14,15)16)3-4-10-11(6)8(5-19-10)12(20-18)7(2)17/h3-6,11,19-20H,17-18H2,1-2H3/b12-7-.
What are the key properties of (Z)-1-hydrazinyl-1-[4-methyl-5-(trifluoromethyl)-3a,4-dihydro-1H-indol-3-yl]prop-1-en-2-amine?
(Z)-1-hydrazinyl-1-[4-methyl-5-(trifluoromethyl)-3a,4-dihydro-1H-indol-3-yl]prop-1-en-2-amine has a molecular weight of 286.30 g/mol, XLogP of 1.77, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-hydrazinyl-1-[4-methyl-5-(trifluoromethyl)-3a,4-dihydro-1H-indol-3-yl]prop-1-en-2-amine is sourced from PubChem (CID 170147623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).