N-ethyl-6-hydrazinyl-N-(oxolan-2-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine

C13H19F3N4O — CID 102720532

IUPACN-ethyl-6-hydrazinyl-N-(oxolan-2-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine
SMILESCCN(CC1CCCO1)c1cc(C(F)(F)F)cc(NN)n1
InChIInChI=1S/C13H19F3N4O/c1-2-20(8-10-4-3-5-21-10)12-7-9(13(14,15)16)6-11(18-12)19-17/h6-7,10H,2-5,8,17H2,1H3,(H,18,19)
InChIKeyZJJARTDRXNTOBX-UHFFFAOYSA-N
MW304.32 g/mol
LogP2.39
Rot. Bonds5

About N-ethyl-6-hydrazinyl-N-(oxolan-2-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine

N-ethyl-6-hydrazinyl-N-(oxolan-2-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 102720532) has the molecular formula C13H19F3N4O and a molecular weight of 304.32 g/mol. Its IUPAC name is N-ethyl-6-hydrazinyl-N-(oxolan-2-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-ethyl-6-hydrazinyl-N-(oxolan-2-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine
PubChem CID102720532
Molecular FormulaC13H19F3N4O
Molecular Weight304.32 g/mol
Exact Mass304.15
IUPAC NameN-ethyl-6-hydrazinyl-N-(oxolan-2-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine
SMILESCCN(CC1CCCO1)c1cc(C(F)(F)F)cc(NN)n1
InChIInChI=1S/C13H19F3N4O/c1-2-20(8-10-4-3-5-21-10)12-7-9(13(14,15)16)6-11(18-12)19-17/h6-7,10H,2-5,8,17H2,1H3,(H,18,19)
InChIKeyZJJARTDRXNTOBX-UHFFFAOYSA-N
XLogP2.39
TPSA63.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 52.39
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

CID 102717189
CID 102717189
CID 142086893
CID 142086893
CID 150302870
CID 150302870
CID 169266240
CID 169266240
CID 60138061
CID 60138061
CID 66329642
CID 66329642
CID 79869664
CID 79869664
CID 79873577
CID 79873577
CID 79874807
CID 79874807
CID 80909686
CID 80909686
CID 102715464
CID 102715464
CID 102715598
CID 102715598

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-hydrazinyl-N-(oxolan-2-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-ethyl-6-hydrazinyl-N-(oxolan-2-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine (CID 102720532) is N-ethyl-6-hydrazinyl-N-(oxolan-2-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-ethyl-6-hydrazinyl-N-(oxolan-2-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-ethyl-6-hydrazinyl-N-(oxolan-2-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine is CCN(CC1CCCO1)c1cc(C(F)(F)F)cc(NN)n1.
What is the InChIKey of N-ethyl-6-hydrazinyl-N-(oxolan-2-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is ZJJARTDRXNTOBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4O/c1-2-20(8-10-4-3-5-21-10)12-7-9(13(14,15)16)6-11(18-12)19-17/h6-7,10H,2-5,8,17H2,1H3,(H,18,19).
What are the key properties of N-ethyl-6-hydrazinyl-N-(oxolan-2-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine?
N-ethyl-6-hydrazinyl-N-(oxolan-2-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 304.32 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-hydrazinyl-N-(oxolan-2-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 102720532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).