5-(1-amino-3-propan-2-yliminoprop-1-enyl)-3-(trifluoromethyl)pyridin-2-amine

C12H15F3N4 — CID 162595760

IUPAC5-(1-amino-3-propan-2-yliminoprop-1-enyl)-3-(trifluoromethyl)pyridin-2-amine
SMILESCC(C)/N=C/C=C(N)c1cnc(N)c(C(F)(F)F)c1
InChIInChI=1S/C12H15F3N4/c1-7(2)18-4-3-10(16)8-5-9(12(13,14)15)11(17)19-6-8/h3-7H,16H2,1-2H3,(H2,17,19)/b10-3?,18-4+
InChIKeyWVLRTKABZXBNHF-GWWBNQPWSA-N
MW272.27 g/mol
LogP2.46
Rot. Bonds3

About 5-(1-amino-3-propan-2-yliminoprop-1-enyl)-3-(trifluoromethyl)pyridin-2-amine

5-(1-amino-3-propan-2-yliminoprop-1-enyl)-3-(trifluoromethyl)pyridin-2-amine (PubChem CID 162595760) has the molecular formula C12H15F3N4 and a molecular weight of 272.27 g/mol. Its IUPAC name is 5-(1-amino-3-propan-2-yliminoprop-1-enyl)-3-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-(1-amino-3-propan-2-yliminoprop-1-enyl)-3-(trifluoromethyl)pyridin-2-amine
PubChem CID162595760
Molecular FormulaC12H15F3N4
Molecular Weight272.27 g/mol
Exact Mass272.12
IUPAC Name5-(1-amino-3-propan-2-yliminoprop-1-enyl)-3-(trifluoromethyl)pyridin-2-amine
SMILESCC(C)/N=C/C=C(N)c1cnc(N)c(C(F)(F)F)c1
InChIInChI=1S/C12H15F3N4/c1-7(2)18-4-3-10(16)8-5-9(12(13,14)15)11(17)19-6-8/h3-7H,16H2,1-2H3,(H2,17,19)/b10-3?,18-4+
InChIKeyWVLRTKABZXBNHF-GWWBNQPWSA-N
XLogP2.46
TPSA77.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.27
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 5-(1-amino-3-propan-2-yliminoprop-1-enyl)-3-(trifluoromethyl)pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[1-amino-3-[(1S,5R)-3-(4-methylpiperazin-1-yl)-6-bicyclo[3.1.0]hexanyl]-3-propan-2-yliminoprop-1-enyl]-3-(trifluoromethyl)pyridin-2-amine
CID 162616416
5-[1-amino-3-[(1S,5R)-3-morpholin-4-yl-6-bicyclo[3.1.0]hexanyl]-3-propan-2-yliminoprop-1-enyl]-3-(trifluoromethyl)pyridin-2-amine
CID 147643150
2-[[(E)-2-[6-amino-5-(trifluoromethyl)-3-pyridinyl]but-1-enyl]-propylamino]-4-methylpent-1-en-3-ol
CID 166702820
3-N-[(E)-2-[6-amino-5-(trifluoromethyl)-3-pyridinyl]but-1-enyl]-3-N-(4-methylpent-1-en-2-yl)-1-N,1-N-dipropylbut-3-ene-1,3-diamine
CID 166702782
3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]prop-2-en-1-ol
CID 169453823
5-(bromomethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 123704629
(3Z)-4-[3-methylsulfanyl-4-(trifluoromethyl)phenyl]buta-1,3-diene-1,1,4-triamine
CID 178030235
(1S)-1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-but-3-enylimidazol-2-yl]ethanol
CID 138499373
3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]prop-2-enal
CID 169459565
5-(4-azidobut-1-enyl)-3-(trifluoromethyl)pyridin-2-amine
CID 170485854
3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]prop-2-yn-1-ol
CID 169485449
5-[3-[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-6-bicyclo[3.1.0]hexanyl]-3-propan-2-yliminopropanimidoyl]-3-(trifluoromethyl)pyridin-2-amine
CID 123259696

Frequently Asked Questions

What is the IUPAC name of 5-(1-amino-3-propan-2-yliminoprop-1-enyl)-3-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 5-(1-amino-3-propan-2-yliminoprop-1-enyl)-3-(trifluoromethyl)pyridin-2-amine (CID 162595760) is 5-(1-amino-3-propan-2-yliminoprop-1-enyl)-3-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 5-(1-amino-3-propan-2-yliminoprop-1-enyl)-3-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 5-(1-amino-3-propan-2-yliminoprop-1-enyl)-3-(trifluoromethyl)pyridin-2-amine is CC(C)/N=C/C=C(N)c1cnc(N)c(C(F)(F)F)c1.
What is the InChIKey of 5-(1-amino-3-propan-2-yliminoprop-1-enyl)-3-(trifluoromethyl)pyridin-2-amine?
The InChIKey is WVLRTKABZXBNHF-GWWBNQPWSA-N. The full InChI is InChI=1S/C12H15F3N4/c1-7(2)18-4-3-10(16)8-5-9(12(13,14)15)11(17)19-6-8/h3-7H,16H2,1-2H3,(H2,17,19)/b10-3?,18-4+.
What are the key properties of 5-(1-amino-3-propan-2-yliminoprop-1-enyl)-3-(trifluoromethyl)pyridin-2-amine?
5-(1-amino-3-propan-2-yliminoprop-1-enyl)-3-(trifluoromethyl)pyridin-2-amine has a molecular weight of 272.27 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-amino-3-propan-2-yliminoprop-1-enyl)-3-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 162595760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).