6-N-propan-2-yl-3-(trifluoromethyl)-1,2-dihydropyridine-5,6-diamine

C9H14F3N3 — CID 137468167

IUPAC6-N-propan-2-yl-3-(trifluoromethyl)-1,2-dihydropyridine-5,6-diamine
SMILESCC(C)NC1=C(N)C=C(C(F)(F)F)CN1
InChIInChI=1S/C9H14F3N3/c1-5(2)15-8-7(13)3-6(4-14-8)9(10,11)12/h3,5,14-15H,4,13H2,1-2H3
InChIKeyBTYGXJXURCEXGO-UHFFFAOYSA-N
MW221.23 g/mol
LogP1.20
Rot. Bonds2

About 6-N-propan-2-yl-3-(trifluoromethyl)-1,2-dihydropyridine-5,6-diamine

6-N-propan-2-yl-3-(trifluoromethyl)-1,2-dihydropyridine-5,6-diamine (PubChem CID 137468167) has the molecular formula C9H14F3N3 and a molecular weight of 221.23 g/mol. Its IUPAC name is 6-N-propan-2-yl-3-(trifluoromethyl)-1,2-dihydropyridine-5,6-diamine.

Molecular Properties

Compound Name6-N-propan-2-yl-3-(trifluoromethyl)-1,2-dihydropyridine-5,6-diamine
PubChem CID137468167
Molecular FormulaC9H14F3N3
Molecular Weight221.23 g/mol
Exact Mass221.11
IUPAC Name6-N-propan-2-yl-3-(trifluoromethyl)-1,2-dihydropyridine-5,6-diamine
SMILESCC(C)NC1=C(N)C=C(C(F)(F)F)CN1
InChIInChI=1S/C9H14F3N3/c1-5(2)15-8-7(13)3-6(4-14-8)9(10,11)12/h3,5,14-15H,4,13H2,1-2H3
InChIKeyBTYGXJXURCEXGO-UHFFFAOYSA-N
XLogP1.20
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.23
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-N-propan-2-yl-3-(trifluoromethyl)-1,2-dihydropyridine-5,6-diamine?
The IUPAC name of 6-N-propan-2-yl-3-(trifluoromethyl)-1,2-dihydropyridine-5,6-diamine (CID 137468167) is 6-N-propan-2-yl-3-(trifluoromethyl)-1,2-dihydropyridine-5,6-diamine.
What is the SMILES notation for 6-N-propan-2-yl-3-(trifluoromethyl)-1,2-dihydropyridine-5,6-diamine?
The canonical SMILES for 6-N-propan-2-yl-3-(trifluoromethyl)-1,2-dihydropyridine-5,6-diamine is CC(C)NC1=C(N)C=C(C(F)(F)F)CN1.
What is the InChIKey of 6-N-propan-2-yl-3-(trifluoromethyl)-1,2-dihydropyridine-5,6-diamine?
The InChIKey is BTYGXJXURCEXGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N3/c1-5(2)15-8-7(13)3-6(4-14-8)9(10,11)12/h3,5,14-15H,4,13H2,1-2H3.
What are the key properties of 6-N-propan-2-yl-3-(trifluoromethyl)-1,2-dihydropyridine-5,6-diamine?
6-N-propan-2-yl-3-(trifluoromethyl)-1,2-dihydropyridine-5,6-diamine has a molecular weight of 221.23 g/mol, XLogP of 1.20, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-propan-2-yl-3-(trifluoromethyl)-1,2-dihydropyridine-5,6-diamine is sourced from PubChem (CID 137468167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).