6-hydrazinyl-N-[(3-methoxyoxolan-3-yl)methyl]-4-(trifluoromethyl)pyridin-2-amine

C12H17F3N4O2 — CID 102721097

IUPAC6-hydrazinyl-N-[(3-methoxyoxolan-3-yl)methyl]-4-(trifluoromethyl)pyridin-2-amine
SMILESCOC1(CNc2cc(C(F)(F)F)cc(NN)n2)CCOC1
InChIInChI=1S/C12H17F3N4O2/c1-20-11(2-3-21-7-11)6-17-9-4-8(12(13,14)15)5-10(18-9)19-16/h4-5H,2-3,6-7,16H2,1H3,(H2,17,18,19)
InChIKeyXLSNHPTUEQNBPD-UHFFFAOYSA-N
MW306.29 g/mol
LogP1.60
Rot. Bonds5

About 6-hydrazinyl-N-[(3-methoxyoxolan-3-yl)methyl]-4-(trifluoromethyl)pyridin-2-amine

6-hydrazinyl-N-[(3-methoxyoxolan-3-yl)methyl]-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 102721097) has the molecular formula C12H17F3N4O2 and a molecular weight of 306.29 g/mol. Its IUPAC name is 6-hydrazinyl-N-[(3-methoxyoxolan-3-yl)methyl]-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-hydrazinyl-N-[(3-methoxyoxolan-3-yl)methyl]-4-(trifluoromethyl)pyridin-2-amine
PubChem CID102721097
Molecular FormulaC12H17F3N4O2
Molecular Weight306.29 g/mol
Exact Mass306.13
IUPAC Name6-hydrazinyl-N-[(3-methoxyoxolan-3-yl)methyl]-4-(trifluoromethyl)pyridin-2-amine
SMILESCOC1(CNc2cc(C(F)(F)F)cc(NN)n2)CCOC1
InChIInChI=1S/C12H17F3N4O2/c1-20-11(2-3-21-7-11)6-17-9-4-8(12(13,14)15)5-10(18-9)19-16/h4-5H,2-3,6-7,16H2,1H3,(H2,17,18,19)
InChIKeyXLSNHPTUEQNBPD-UHFFFAOYSA-N
XLogP1.60
TPSA81.43 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.29
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-[(3-methoxyoxolan-3-yl)methyl]-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 6-hydrazinyl-N-[(3-methoxyoxolan-3-yl)methyl]-4-(trifluoromethyl)pyridin-2-amine (CID 102721097) is 6-hydrazinyl-N-[(3-methoxyoxolan-3-yl)methyl]-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 6-hydrazinyl-N-[(3-methoxyoxolan-3-yl)methyl]-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 6-hydrazinyl-N-[(3-methoxyoxolan-3-yl)methyl]-4-(trifluoromethyl)pyridin-2-amine is COC1(CNc2cc(C(F)(F)F)cc(NN)n2)CCOC1.
What is the InChIKey of 6-hydrazinyl-N-[(3-methoxyoxolan-3-yl)methyl]-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is XLSNHPTUEQNBPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4O2/c1-20-11(2-3-21-7-11)6-17-9-4-8(12(13,14)15)5-10(18-9)19-16/h4-5H,2-3,6-7,16H2,1H3,(H2,17,18,19).
What are the key properties of 6-hydrazinyl-N-[(3-methoxyoxolan-3-yl)methyl]-4-(trifluoromethyl)pyridin-2-amine?
6-hydrazinyl-N-[(3-methoxyoxolan-3-yl)methyl]-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 306.29 g/mol, XLogP of 1.60, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-N-[(3-methoxyoxolan-3-yl)methyl]-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 102721097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).