(2S)-2-amino-6-(1-aminoethylideneamino)-N-(1H-pyrazol-5-yl)hexanamide;hydrate

C11H22N6O2 — CID 67687739

IUPAC(2S)-2-amino-6-(1-aminoethylideneamino)-N-(1H-pyrazol-5-yl)hexanamide;hydrate
SMILESC/C(N)=N\CCCC[C@H](N)C(=O)Nc1ccn[nH]1.O
InChIInChI=1S/C11H20N6O.H2O/c1-8(12)14-6-3-2-4-9(13)11(18)16-10-5-7-15-17-10;/h5,7,9H,2-4,6,13H2,1H3,(H2,12,14)(H2,15,16,17,18);1H2/t9-;/m0./s1
InChIKeyQPDUHFBEDLWTSW-FVGYRXGTSA-N
MW270.34 g/mol
LogP-0.60
Rot. Bonds7

About (2S)-2-amino-6-(1-aminoethylideneamino)-N-(1H-pyrazol-5-yl)hexanamide;hydrate

(2S)-2-amino-6-(1-aminoethylideneamino)-N-(1H-pyrazol-5-yl)hexanamide;hydrate (PubChem CID 67687739) has the molecular formula C11H22N6O2 and a molecular weight of 270.34 g/mol. Its IUPAC name is (2S)-2-amino-6-(1-aminoethylideneamino)-N-(1H-pyrazol-5-yl)hexanamide;hydrate.

Molecular Properties

Compound Name(2S)-2-amino-6-(1-aminoethylideneamino)-N-(1H-pyrazol-5-yl)hexanamide;hydrate
PubChem CID67687739
Molecular FormulaC11H22N6O2
Molecular Weight270.34 g/mol
Exact Mass270.18
IUPAC Name(2S)-2-amino-6-(1-aminoethylideneamino)-N-(1H-pyrazol-5-yl)hexanamide;hydrate
SMILESC/C(N)=N\CCCC[C@H](N)C(=O)Nc1ccn[nH]1.O
InChIInChI=1S/C11H20N6O.H2O/c1-8(12)14-6-3-2-4-9(13)11(18)16-10-5-7-15-17-10;/h5,7,9H,2-4,6,13H2,1H3,(H2,12,14)(H2,15,16,17,18);1H2/t9-;/m0./s1
InChIKeyQPDUHFBEDLWTSW-FVGYRXGTSA-N
XLogP-0.60
TPSA153.68 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 5-0.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2S)-2-amino-6-(1-aminoethylideneamino)-N-(1H-pyrazol-5-yl)hexanamide;hydrate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-6-(1-aminoethylideneamino)-N-(1H-pyrazol-5-yl)hexanamide;hydrate?
The IUPAC name of (2S)-2-amino-6-(1-aminoethylideneamino)-N-(1H-pyrazol-5-yl)hexanamide;hydrate (CID 67687739) is (2S)-2-amino-6-(1-aminoethylideneamino)-N-(1H-pyrazol-5-yl)hexanamide;hydrate.
What is the SMILES notation for (2S)-2-amino-6-(1-aminoethylideneamino)-N-(1H-pyrazol-5-yl)hexanamide;hydrate?
The canonical SMILES for (2S)-2-amino-6-(1-aminoethylideneamino)-N-(1H-pyrazol-5-yl)hexanamide;hydrate is C/C(N)=N\CCCC[C@H](N)C(=O)Nc1ccn[nH]1.O.
What is the InChIKey of (2S)-2-amino-6-(1-aminoethylideneamino)-N-(1H-pyrazol-5-yl)hexanamide;hydrate?
The InChIKey is QPDUHFBEDLWTSW-FVGYRXGTSA-N. The full InChI is InChI=1S/C11H20N6O.H2O/c1-8(12)14-6-3-2-4-9(13)11(18)16-10-5-7-15-17-10;/h5,7,9H,2-4,6,13H2,1H3,(H2,12,14)(H2,15,16,17,18);1H2/t9-;/m0./s1.
What are the key properties of (2S)-2-amino-6-(1-aminoethylideneamino)-N-(1H-pyrazol-5-yl)hexanamide;hydrate?
(2S)-2-amino-6-(1-aminoethylideneamino)-N-(1H-pyrazol-5-yl)hexanamide;hydrate has a molecular weight of 270.34 g/mol, XLogP of -0.60, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-6-(1-aminoethylideneamino)-N-(1H-pyrazol-5-yl)hexanamide;hydrate is sourced from PubChem (CID 67687739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).