3-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]-4-methylpentan-1-ol

C12H19F3N4O — CID 106358437

IUPAC3-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]-4-methylpentan-1-ol
SMILESCC(C)C(CCO)Nc1cc(C(F)(F)F)cc(NN)n1
InChIInChI=1S/C12H19F3N4O/c1-7(2)9(3-4-20)17-10-5-8(12(13,14)15)6-11(18-10)19-16/h5-7,9,20H,3-4,16H2,1-2H3,(H2,17,18,19)
InChIKeyZRDCBGZSTTVLQC-UHFFFAOYSA-N
MW292.31 g/mol
LogP2.20
Rot. Bonds6

About 3-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]-4-methylpentan-1-ol

3-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]-4-methylpentan-1-ol (PubChem CID 106358437) has the molecular formula C12H19F3N4O and a molecular weight of 292.31 g/mol. Its IUPAC name is 3-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]-4-methylpentan-1-ol.

Molecular Properties

Compound Name3-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]-4-methylpentan-1-ol
PubChem CID106358437
Molecular FormulaC12H19F3N4O
Molecular Weight292.31 g/mol
Exact Mass292.15
IUPAC Name3-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]-4-methylpentan-1-ol
SMILESCC(C)C(CCO)Nc1cc(C(F)(F)F)cc(NN)n1
InChIInChI=1S/C12H19F3N4O/c1-7(2)9(3-4-20)17-10-5-8(12(13,14)15)6-11(18-10)19-16/h5-7,9,20H,3-4,16H2,1-2H3,(H2,17,18,19)
InChIKeyZRDCBGZSTTVLQC-UHFFFAOYSA-N
XLogP2.20
TPSA83.20 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 52.20
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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Related Compounds

6-hydrazinyl-N-(5-methylhexan-2-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 102720760
4-methyl-3-[[4-(trifluoromethyl)-2-pyridinyl]amino]pentan-1-ol
CID 103736616
3-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]-4-methylpentan-1-ol
CID 106358061
N-(2,3-dimethylbutyl)-6-hydrazinyl-4-(trifluoromethyl)pyridin-2-amine
CID 102720794
6-hydrazinyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 102720566
4-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]amino]pentan-1-ol
CID 102718936
3-[(2,6-dimethylpyrimidin-4-yl)amino]-4-methylpentan-1-ol
CID 103703947
(2S)-2-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)amino]-3-methylbutan-1-ol
CID 80968489
6-N-(1-methoxy-3-methylbutan-2-yl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718721
6-N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717913
6-hydrazinyl-4-(trifluoromethyl)-N-(2,4,4-trimethylpentan-2-yl)pyridin-2-amine
CID 102720633
3-[(6-bromo-2-methylpyrimidin-4-yl)amino]-4-methylpentan-1-ol
CID 106352561

Frequently Asked Questions

What is the IUPAC name of 3-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]-4-methylpentan-1-ol?
The IUPAC name of 3-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]-4-methylpentan-1-ol (CID 106358437) is 3-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]-4-methylpentan-1-ol.
What is the SMILES notation for 3-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]-4-methylpentan-1-ol?
The canonical SMILES for 3-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]-4-methylpentan-1-ol is CC(C)C(CCO)Nc1cc(C(F)(F)F)cc(NN)n1.
What is the InChIKey of 3-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]-4-methylpentan-1-ol?
The InChIKey is ZRDCBGZSTTVLQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N4O/c1-7(2)9(3-4-20)17-10-5-8(12(13,14)15)6-11(18-10)19-16/h5-7,9,20H,3-4,16H2,1-2H3,(H2,17,18,19).
What are the key properties of 3-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]-4-methylpentan-1-ol?
3-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]-4-methylpentan-1-ol has a molecular weight of 292.31 g/mol, XLogP of 2.20, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]-4-methylpentan-1-ol is sourced from PubChem (CID 106358437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).