2-N-ethyl-6-N-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)pyridine-2,6-diamine

C12H14F3N5 — CID 102718897

IUPAC2-N-ethyl-6-N-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)pyridine-2,6-diamine
SMILESCCNc1cc(C(F)(F)F)cc(Nc2ccn(C)n2)n1
InChIInChI=1S/C12H14F3N5/c1-3-16-10-6-8(12(13,14)15)7-11(18-10)17-9-4-5-20(2)19-9/h4-7H,3H2,1-2H3,(H2,16,17,18,19)
InChIKeyNWNMSHIWVLKOTQ-UHFFFAOYSA-N
MW285.27 g/mol
LogP3.01
Rot. Bonds4

About 2-N-ethyl-6-N-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)pyridine-2,6-diamine

2-N-ethyl-6-N-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)pyridine-2,6-diamine (PubChem CID 102718897) has the molecular formula C12H14F3N5 and a molecular weight of 285.27 g/mol. Its IUPAC name is 2-N-ethyl-6-N-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)pyridine-2,6-diamine.

Molecular Properties

Compound Name2-N-ethyl-6-N-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)pyridine-2,6-diamine
PubChem CID102718897
Molecular FormulaC12H14F3N5
Molecular Weight285.27 g/mol
Exact Mass285.12
IUPAC Name2-N-ethyl-6-N-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)pyridine-2,6-diamine
SMILESCCNc1cc(C(F)(F)F)cc(Nc2ccn(C)n2)n1
InChIInChI=1S/C12H14F3N5/c1-3-16-10-6-8(12(13,14)15)7-11(18-10)17-9-4-5-20(2)19-9/h4-7H,3H2,1-2H3,(H2,16,17,18,19)
InChIKeyNWNMSHIWVLKOTQ-UHFFFAOYSA-N
XLogP3.01
TPSA54.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-6-N-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)pyridine-2,6-diamine?
The IUPAC name of 2-N-ethyl-6-N-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)pyridine-2,6-diamine (CID 102718897) is 2-N-ethyl-6-N-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)pyridine-2,6-diamine.
What is the SMILES notation for 2-N-ethyl-6-N-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)pyridine-2,6-diamine?
The canonical SMILES for 2-N-ethyl-6-N-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)pyridine-2,6-diamine is CCNc1cc(C(F)(F)F)cc(Nc2ccn(C)n2)n1.
What is the InChIKey of 2-N-ethyl-6-N-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)pyridine-2,6-diamine?
The InChIKey is NWNMSHIWVLKOTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N5/c1-3-16-10-6-8(12(13,14)15)7-11(18-10)17-9-4-5-20(2)19-9/h4-7H,3H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 2-N-ethyl-6-N-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)pyridine-2,6-diamine?
2-N-ethyl-6-N-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)pyridine-2,6-diamine has a molecular weight of 285.27 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-6-N-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)pyridine-2,6-diamine is sourced from PubChem (CID 102718897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).