6-hydrazinyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-4-(trifluoromethyl)pyridin-2-amine

C13H20F3N5 — CID 102720566

IUPAC6-hydrazinyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-4-(trifluoromethyl)pyridin-2-amine
SMILESCC(CN1CCCC1)Nc1cc(C(F)(F)F)cc(NN)n1
InChIInChI=1S/C13H20F3N5/c1-9(8-21-4-2-3-5-21)18-11-6-10(13(14,15)16)7-12(19-11)20-17/h6-7,9H,2-5,8,17H2,1H3,(H2,18,19,20)
InChIKeyVTPXHQORQWSBAN-UHFFFAOYSA-N
MW303.33 g/mol
LogP2.28
Rot. Bonds5

About 6-hydrazinyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-4-(trifluoromethyl)pyridin-2-amine

6-hydrazinyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 102720566) has the molecular formula C13H20F3N5 and a molecular weight of 303.33 g/mol. Its IUPAC name is 6-hydrazinyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-hydrazinyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-4-(trifluoromethyl)pyridin-2-amine
PubChem CID102720566
Molecular FormulaC13H20F3N5
Molecular Weight303.33 g/mol
Exact Mass303.17
IUPAC Name6-hydrazinyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-4-(trifluoromethyl)pyridin-2-amine
SMILESCC(CN1CCCC1)Nc1cc(C(F)(F)F)cc(NN)n1
InChIInChI=1S/C13H20F3N5/c1-9(8-21-4-2-3-5-21)18-11-6-10(13(14,15)16)7-12(19-11)20-17/h6-7,9H,2-5,8,17H2,1H3,(H2,18,19,20)
InChIKeyVTPXHQORQWSBAN-UHFFFAOYSA-N
XLogP2.28
TPSA66.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 6-hydrazinyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-4-(trifluoromethyl)pyridin-2-amine (CID 102720566) is 6-hydrazinyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 6-hydrazinyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 6-hydrazinyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-4-(trifluoromethyl)pyridin-2-amine is CC(CN1CCCC1)Nc1cc(C(F)(F)F)cc(NN)n1.
What is the InChIKey of 6-hydrazinyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is VTPXHQORQWSBAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N5/c1-9(8-21-4-2-3-5-21)18-11-6-10(13(14,15)16)7-12(19-11)20-17/h6-7,9H,2-5,8,17H2,1H3,(H2,18,19,20).
What are the key properties of 6-hydrazinyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-4-(trifluoromethyl)pyridin-2-amine?
6-hydrazinyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 303.33 g/mol, XLogP of 2.28, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 102720566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).