[6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-(trifluoromethyl)-2-pyridinyl]hydrazine

C13H18F3N5 — CID 102720895

IUPAC[6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-(trifluoromethyl)-2-pyridinyl]hydrazine
SMILESNNc1cc(C(F)(F)F)cc(N2CCN3CCCC3C2)n1
InChIInChI=1S/C13H18F3N5/c14-13(15,16)9-6-11(19-17)18-12(7-9)21-5-4-20-3-1-2-10(20)8-21/h6-7,10H,1-5,8,17H2,(H,18,19)
InChIKeyYGYZPNSEDXZPIT-UHFFFAOYSA-N
MW301.32 g/mol
LogP1.67
Rot. Bonds2

About [6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-(trifluoromethyl)-2-pyridinyl]hydrazine

[6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-(trifluoromethyl)-2-pyridinyl]hydrazine (PubChem CID 102720895) has the molecular formula C13H18F3N5 and a molecular weight of 301.32 g/mol. Its IUPAC name is [6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-(trifluoromethyl)-2-pyridinyl]hydrazine.

Molecular Properties

Compound Name[6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-(trifluoromethyl)-2-pyridinyl]hydrazine
PubChem CID102720895
Molecular FormulaC13H18F3N5
Molecular Weight301.32 g/mol
Exact Mass301.15
IUPAC Name[6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-(trifluoromethyl)-2-pyridinyl]hydrazine
SMILESNNc1cc(C(F)(F)F)cc(N2CCN3CCCC3C2)n1
InChIInChI=1S/C13H18F3N5/c14-13(15,16)9-6-11(19-17)18-12(7-9)21-5-4-20-3-1-2-10(20)8-21/h6-7,10H,1-5,8,17H2,(H,18,19)
InChIKeyYGYZPNSEDXZPIT-UHFFFAOYSA-N
XLogP1.67
TPSA57.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 51.67
H-Bond Donors ≤ 52
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

4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-6-hydrazinylpyrimidin-2-amine
CID 80929260
[6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pyrimidin-4-yl]hydrazine
CID 80929365
[6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80969411
[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
4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 114565467
2-[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
CID 102721077
2-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 114562594
[1-[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]piperidin-2-yl]methanol
CID 102720517
(8aR)-2-[6-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]pyrimidin-4-yl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 129429947
6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-methyl-2-methylsulfanylpyrimidin-4-amine
CID 80854581
[1-[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]azepan-2-yl]methanol
CID 102721155

Frequently Asked Questions

What is the IUPAC name of [6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-(trifluoromethyl)-2-pyridinyl]hydrazine?
The IUPAC name of [6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-(trifluoromethyl)-2-pyridinyl]hydrazine (CID 102720895) is [6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-(trifluoromethyl)-2-pyridinyl]hydrazine.
What is the SMILES notation for [6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-(trifluoromethyl)-2-pyridinyl]hydrazine?
The canonical SMILES for [6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-(trifluoromethyl)-2-pyridinyl]hydrazine is NNc1cc(C(F)(F)F)cc(N2CCN3CCCC3C2)n1.
What is the InChIKey of [6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-(trifluoromethyl)-2-pyridinyl]hydrazine?
The InChIKey is YGYZPNSEDXZPIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N5/c14-13(15,16)9-6-11(19-17)18-12(7-9)21-5-4-20-3-1-2-10(20)8-21/h6-7,10H,1-5,8,17H2,(H,18,19).
What are the key properties of [6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-(trifluoromethyl)-2-pyridinyl]hydrazine?
[6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-(trifluoromethyl)-2-pyridinyl]hydrazine has a molecular weight of 301.32 g/mol, XLogP of 1.67, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-(trifluoromethyl)-2-pyridinyl]hydrazine is sourced from PubChem (CID 102720895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).