2-[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol

C13H17F3N4O — CID 102721077

IUPAC2-[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
SMILESNNc1cc(C(F)(F)F)cc(N2CC3CCC(O)C3C2)n1
InChIInChI=1S/C13H17F3N4O/c14-13(15,16)8-3-11(19-17)18-12(4-8)20-5-7-1-2-10(21)9(7)6-20/h3-4,7,9-10,21H,1-2,5-6,17H2,(H,18,19)
InChIKeyNJHTWIRNINGDLV-UHFFFAOYSA-N
MW302.30 g/mol
LogP1.59
Rot. Bonds2

About 2-[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol

2-[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol (PubChem CID 102721077) has the molecular formula C13H17F3N4O and a molecular weight of 302.30 g/mol. Its IUPAC name is 2-[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol.

Molecular Properties

Compound Name2-[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
PubChem CID102721077
Molecular FormulaC13H17F3N4O
Molecular Weight302.30 g/mol
Exact Mass302.14
IUPAC Name2-[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
SMILESNNc1cc(C(F)(F)F)cc(N2CC3CCC(O)C3C2)n1
InChIInChI=1S/C13H17F3N4O/c14-13(15,16)8-3-11(19-17)18-12(4-8)20-5-7-1-2-10(21)9(7)6-20/h3-4,7,9-10,21H,1-2,5-6,17H2,(H,18,19)
InChIKeyNJHTWIRNINGDLV-UHFFFAOYSA-N
XLogP1.59
TPSA74.41 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 51.59
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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Related Compounds

2-(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
CID 113399597
[6-(4-propan-2-ylpiperidin-1-yl)-4-(trifluoromethyl)-2-pyridinyl]hydrazine
CID 103504770
[6-(4-methoxypiperidin-1-yl)-4-(trifluoromethyl)-2-pyridinyl]hydrazine
CID 102720443
[6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-(trifluoromethyl)-2-pyridinyl]hydrazine
CID 102720895
2-(2,6-diaminopyrimidin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
CID 113399583
[1-[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]piperidin-2-yl]methanol
CID 102720517
[4-(trifluoromethyl)-6-(2,3,5-trimethylpiperidin-1-yl)-2-pyridinyl]hydrazine
CID 102721159
[1-[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]azepan-2-yl]methanol
CID 102721155
2-(3,5-difluoro-6-hydrazinyl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
CID 114073547
[6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-(trifluoromethyl)-2-pyridinyl]hydrazine
CID 102720959
[6-(2-propylpiperidin-1-yl)-4-(trifluoromethyl)-2-pyridinyl]hydrazine
CID 102721064
[6-(4-methylpyrazol-1-yl)-4-(trifluoromethyl)-2-pyridinyl]hydrazine
CID 102721177

Frequently Asked Questions

What is the IUPAC name of 2-[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol?
The IUPAC name of 2-[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol (CID 102721077) is 2-[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol.
What is the SMILES notation for 2-[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol?
The canonical SMILES for 2-[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol is NNc1cc(C(F)(F)F)cc(N2CC3CCC(O)C3C2)n1.
What is the InChIKey of 2-[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol?
The InChIKey is NJHTWIRNINGDLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N4O/c14-13(15,16)8-3-11(19-17)18-12(4-8)20-5-7-1-2-10(21)9(7)6-20/h3-4,7,9-10,21H,1-2,5-6,17H2,(H,18,19).
What are the key properties of 2-[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol?
2-[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol has a molecular weight of 302.30 g/mol, XLogP of 1.59, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol is sourced from PubChem (CID 102721077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).