1-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]-2-methylpentan-2-ol

C12H19F3N4O — CID 106294581

IUPAC1-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]-2-methylpentan-2-ol
SMILESCCCC(C)(O)CNc1cc(C(F)(F)F)cc(NN)n1
InChIInChI=1S/C12H19F3N4O/c1-3-4-11(2,20)7-17-9-5-8(12(13,14)15)6-10(18-9)19-16/h5-6,20H,3-4,7,16H2,1-2H3,(H2,17,18,19)
InChIKeyDLKFUMXJRXBXLD-UHFFFAOYSA-N
MW292.30 g/mol
LogP2.35
Rot. Bonds6

About 1-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]-2-methylpentan-2-ol

1-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]-2-methylpentan-2-ol (PubChem CID 106294581) has the molecular formula C12H19F3N4O and a molecular weight of 292.30 g/mol. Its IUPAC name is 1-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]-2-methylpentan-2-ol.

Molecular Properties

Compound Name1-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]-2-methylpentan-2-ol
PubChem CID106294581
Molecular FormulaC12H19F3N4O
Molecular Weight292.30 g/mol
Exact Mass292.15
IUPAC Name1-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]-2-methylpentan-2-ol
SMILESCCCC(C)(O)CNc1cc(C(F)(F)F)cc(NN)n1
InChIInChI=1S/C12H19F3N4O/c1-3-4-11(2,20)7-17-9-5-8(12(13,14)15)6-10(18-9)19-16/h5-6,20H,3-4,7,16H2,1-2H3,(H2,17,18,19)
InChIKeyDLKFUMXJRXBXLD-UHFFFAOYSA-N
XLogP2.35
TPSA83.20 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 52.35
H-Bond Donors ≤ 54
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 1-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]-2-methylpentan-2-ol?
The IUPAC name of 1-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]-2-methylpentan-2-ol (CID 106294581) is 1-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]-2-methylpentan-2-ol.
What is the SMILES notation for 1-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]-2-methylpentan-2-ol?
The canonical SMILES for 1-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]-2-methylpentan-2-ol is CCCC(C)(O)CNc1cc(C(F)(F)F)cc(NN)n1.
What is the InChIKey of 1-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]-2-methylpentan-2-ol?
The InChIKey is DLKFUMXJRXBXLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N4O/c1-3-4-11(2,20)7-17-9-5-8(12(13,14)15)6-10(18-9)19-16/h5-6,20H,3-4,7,16H2,1-2H3,(H2,17,18,19).
What are the key properties of 1-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]-2-methylpentan-2-ol?
1-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]-2-methylpentan-2-ol has a molecular weight of 292.30 g/mol, XLogP of 2.35, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]-2-methylpentan-2-ol is sourced from PubChem (CID 106294581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).