1-cyclopropyl-3-N-methyl-6-(trifluoromethyl)-2H-pyridine-3,4-diamine

C10H14F3N3 — CID 129164639

IUPAC1-cyclopropyl-3-N-methyl-6-(trifluoromethyl)-2H-pyridine-3,4-diamine
SMILESCNC1=C(N)C=C(C(F)(F)F)N(C2CC2)C1
InChIInChI=1S/C10H14F3N3/c1-15-8-5-16(6-2-3-6)9(4-7(8)14)10(11,12)13/h4,6,15H,2-3,5,14H2,1H3
InChIKeyHSYIGWAWGVDQSP-UHFFFAOYSA-N
MW233.24 g/mol
LogP1.30
Rot. Bonds2

About 1-cyclopropyl-3-N-methyl-6-(trifluoromethyl)-2H-pyridine-3,4-diamine

1-cyclopropyl-3-N-methyl-6-(trifluoromethyl)-2H-pyridine-3,4-diamine (PubChem CID 129164639) has the molecular formula C10H14F3N3 and a molecular weight of 233.24 g/mol. Its IUPAC name is 1-cyclopropyl-3-N-methyl-6-(trifluoromethyl)-2H-pyridine-3,4-diamine.

Molecular Properties

Compound Name1-cyclopropyl-3-N-methyl-6-(trifluoromethyl)-2H-pyridine-3,4-diamine
PubChem CID129164639
Molecular FormulaC10H14F3N3
Molecular Weight233.24 g/mol
Exact Mass233.11
IUPAC Name1-cyclopropyl-3-N-methyl-6-(trifluoromethyl)-2H-pyridine-3,4-diamine
SMILESCNC1=C(N)C=C(C(F)(F)F)N(C2CC2)C1
InChIInChI=1S/C10H14F3N3/c1-15-8-5-16(6-2-3-6)9(4-7(8)14)10(11,12)13/h4,6,15H,2-3,5,14H2,1H3
InChIKeyHSYIGWAWGVDQSP-UHFFFAOYSA-N
XLogP1.30
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.24
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-N-methyl-6-(trifluoromethyl)-2H-pyridine-3,4-diamine?
The IUPAC name of 1-cyclopropyl-3-N-methyl-6-(trifluoromethyl)-2H-pyridine-3,4-diamine (CID 129164639) is 1-cyclopropyl-3-N-methyl-6-(trifluoromethyl)-2H-pyridine-3,4-diamine.
What is the SMILES notation for 1-cyclopropyl-3-N-methyl-6-(trifluoromethyl)-2H-pyridine-3,4-diamine?
The canonical SMILES for 1-cyclopropyl-3-N-methyl-6-(trifluoromethyl)-2H-pyridine-3,4-diamine is CNC1=C(N)C=C(C(F)(F)F)N(C2CC2)C1.
What is the InChIKey of 1-cyclopropyl-3-N-methyl-6-(trifluoromethyl)-2H-pyridine-3,4-diamine?
The InChIKey is HSYIGWAWGVDQSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3/c1-15-8-5-16(6-2-3-6)9(4-7(8)14)10(11,12)13/h4,6,15H,2-3,5,14H2,1H3.
What are the key properties of 1-cyclopropyl-3-N-methyl-6-(trifluoromethyl)-2H-pyridine-3,4-diamine?
1-cyclopropyl-3-N-methyl-6-(trifluoromethyl)-2H-pyridine-3,4-diamine has a molecular weight of 233.24 g/mol, XLogP of 1.30, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-N-methyl-6-(trifluoromethyl)-2H-pyridine-3,4-diamine is sourced from PubChem (CID 129164639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).