3-[(E)-1-aminoprop-1-enyl]-2-methyl-5-(trifluoromethyl)pyridin-4-amine

C10H12F3N3 — CID 143895454

IUPAC3-[(E)-1-aminoprop-1-enyl]-2-methyl-5-(trifluoromethyl)pyridin-4-amine
SMILESC/C=C(/N)c1c(C)ncc(C(F)(F)F)c1N
InChIInChI=1S/C10H12F3N3/c1-3-7(14)8-5(2)16-4-6(9(8)15)10(11,12)13/h3-4H,14H2,1-2H3,(H2,15,16)/b7-3+
InChIKeyVOZQVTITYCUAOS-XVNBXDOJSA-N
MW231.22 g/mol
LogP2.31
Rot. Bonds1

About 3-[(E)-1-aminoprop-1-enyl]-2-methyl-5-(trifluoromethyl)pyridin-4-amine

3-[(E)-1-aminoprop-1-enyl]-2-methyl-5-(trifluoromethyl)pyridin-4-amine (PubChem CID 143895454) has the molecular formula C10H12F3N3 and a molecular weight of 231.22 g/mol. Its IUPAC name is 3-[(E)-1-aminoprop-1-enyl]-2-methyl-5-(trifluoromethyl)pyridin-4-amine.

Molecular Properties

Compound Name3-[(E)-1-aminoprop-1-enyl]-2-methyl-5-(trifluoromethyl)pyridin-4-amine
PubChem CID143895454
Molecular FormulaC10H12F3N3
Molecular Weight231.22 g/mol
Exact Mass231.10
IUPAC Name3-[(E)-1-aminoprop-1-enyl]-2-methyl-5-(trifluoromethyl)pyridin-4-amine
SMILESC/C=C(/N)c1c(C)ncc(C(F)(F)F)c1N
InChIInChI=1S/C10H12F3N3/c1-3-7(14)8-5(2)16-4-6(9(8)15)10(11,12)13/h3-4H,14H2,1-2H3,(H2,15,16)/b7-3+
InChIKeyVOZQVTITYCUAOS-XVNBXDOJSA-N
XLogP2.31
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Ethionamide
CID 2761171
5-Ethyl-2-methylpyridine
CID 7728
2,4-Dimethylpyridine
CID 7936
2,3-Lutidine
CID 11420
2-Methyl-5-vinylpyridine
CID 8817
3-Methyl-4-pyridinamine
CID 74811
2-Phenylpyridin-4-amine
CID 2762833
4-(Aminomethyl)-2-(trifluoromethyl)pyridine
CID 55265285
(2-(Trifluoromethyl)pyridin-4-yl)methanamine hydrochloride
CID 70700688
2-Methylpyridine-4-carbothioamide
CID 3000562
4-Ethyl-2-methylpyridine
CID 68307
4,6-Dimethylpyridin-3-amine
CID 7060669

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-1-aminoprop-1-enyl]-2-methyl-5-(trifluoromethyl)pyridin-4-amine?
The IUPAC name of 3-[(E)-1-aminoprop-1-enyl]-2-methyl-5-(trifluoromethyl)pyridin-4-amine (CID 143895454) is 3-[(E)-1-aminoprop-1-enyl]-2-methyl-5-(trifluoromethyl)pyridin-4-amine.
What is the SMILES notation for 3-[(E)-1-aminoprop-1-enyl]-2-methyl-5-(trifluoromethyl)pyridin-4-amine?
The canonical SMILES for 3-[(E)-1-aminoprop-1-enyl]-2-methyl-5-(trifluoromethyl)pyridin-4-amine is C/C=C(/N)c1c(C)ncc(C(F)(F)F)c1N.
What is the InChIKey of 3-[(E)-1-aminoprop-1-enyl]-2-methyl-5-(trifluoromethyl)pyridin-4-amine?
The InChIKey is VOZQVTITYCUAOS-XVNBXDOJSA-N. The full InChI is InChI=1S/C10H12F3N3/c1-3-7(14)8-5(2)16-4-6(9(8)15)10(11,12)13/h3-4H,14H2,1-2H3,(H2,15,16)/b7-3+.
What are the key properties of 3-[(E)-1-aminoprop-1-enyl]-2-methyl-5-(trifluoromethyl)pyridin-4-amine?
3-[(E)-1-aminoprop-1-enyl]-2-methyl-5-(trifluoromethyl)pyridin-4-amine has a molecular weight of 231.22 g/mol, XLogP of 2.31, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-1-aminoprop-1-enyl]-2-methyl-5-(trifluoromethyl)pyridin-4-amine is sourced from PubChem (CID 143895454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).