2-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]guanidine;2,2,2-trifluoroacetic acid

C14H21F3N6O2 — CID 126535091

IUPAC2-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]guanidine;2,2,2-trifluoroacetic acid
SMILESCCN1CCN(c2ccc(N=C(N)N)nc2)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C12H20N6.C2HF3O2/c1-2-17-5-7-18(8-6-17)10-3-4-11(15-9-10)16-12(13)14;3-2(4,5)1(6)7/h3-4,9H,2,5-8H2,1H3,(H4,13,14,15,16);(H,6,7)
InChIKeyNFNWDBFAENKVFX-UHFFFAOYSA-N
MW362.36 g/mol
LogP0.76
Rot. Bonds3

About 2-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]guanidine;2,2,2-trifluoroacetic acid

2-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]guanidine;2,2,2-trifluoroacetic acid (PubChem CID 126535091) has the molecular formula C14H21F3N6O2 and a molecular weight of 362.36 g/mol. Its IUPAC name is 2-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]guanidine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]guanidine;2,2,2-trifluoroacetic acid
PubChem CID126535091
Molecular FormulaC14H21F3N6O2
Molecular Weight362.36 g/mol
Exact Mass362.17
IUPAC Name2-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]guanidine;2,2,2-trifluoroacetic acid
SMILESCCN1CCN(c2ccc(N=C(N)N)nc2)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C12H20N6.C2HF3O2/c1-2-17-5-7-18(8-6-17)10-3-4-11(15-9-10)16-12(13)14;3-2(4,5)1(6)7/h3-4,9H,2,5-8H2,1H3,(H4,13,14,15,16);(H,6,7)
InChIKeyNFNWDBFAENKVFX-UHFFFAOYSA-N
XLogP0.76
TPSA121.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.36
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]guanidine;2,2,2-trifluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]guanidine;2,2,2-trifluoroacetic acid
CID 126535065
2-(5-piperazin-1-yl-2-pyridinyl)guanidine;bis(2,2,2-trifluoroacetic acid)
CID 172804982
(1R)-1-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]propan-1-amine
CID 113355072
1-ethyl-4-[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]piperazine
CID 146606159
N-benzyl-5-(4-ethylpiperazin-1-yl)-N-methylpyridine-2-carboxamide
CID 109186763
[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109186812
5-(4-ethylpiperazin-1-yl)-N-(2-fluorophenyl)pyridine-2-carboxamide
CID 109186840
N-(4-ethylphenyl)-5-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide
CID 109186830
6-(4-ethylpiperazin-1-yl)pyridine-3-carboxylic acid;hydrochloride
CID 154881659
4-(4-ethylpiperazin-1-yl)-N'-hydroxybenzenecarboximidamide;trihydrochloride
CID 139714848
5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridine-2-carboximidamide
CID 115489641
2-[5-(4-ethylpiperazin-1-yl)benzimidazol-1-yl]acetic acid
CID 83972284

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]guanidine;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]guanidine;2,2,2-trifluoroacetic acid (CID 126535091) is 2-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]guanidine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]guanidine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]guanidine;2,2,2-trifluoroacetic acid is CCN1CCN(c2ccc(N=C(N)N)nc2)CC1.O=C(O)C(F)(F)F.
What is the InChIKey of 2-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]guanidine;2,2,2-trifluoroacetic acid?
The InChIKey is NFNWDBFAENKVFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6.C2HF3O2/c1-2-17-5-7-18(8-6-17)10-3-4-11(15-9-10)16-12(13)14;3-2(4,5)1(6)7/h3-4,9H,2,5-8H2,1H3,(H4,13,14,15,16);(H,6,7).
What are the key properties of 2-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]guanidine;2,2,2-trifluoroacetic acid?
2-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]guanidine;2,2,2-trifluoroacetic acid has a molecular weight of 362.36 g/mol, XLogP of 0.76, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]guanidine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 126535091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).