4-N-ethyl-2-N,2-N-dimethyl-6-(propan-2-ylideneamino)oxy-1,3,5-triazine-2,4-diamine

C10H18N6O — CID 709446

IUPAC4-N-ethyl-2-N,2-N-dimethyl-6-(propan-2-ylideneamino)oxy-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(ON=C(C)C)nc(N(C)C)n1
InChIInChI=1S/C10H18N6O/c1-6-11-8-12-9(16(4)5)14-10(13-8)17-15-7(2)3/h6H2,1-5H3,(H,11,12,13,14)
InChIKeyWHYGFLPJEPVZRD-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.14
Rot. Bonds5

About 4-N-ethyl-2-N,2-N-dimethyl-6-(propan-2-ylideneamino)oxy-1,3,5-triazine-2,4-diamine

4-N-ethyl-2-N,2-N-dimethyl-6-(propan-2-ylideneamino)oxy-1,3,5-triazine-2,4-diamine (PubChem CID 709446) has the molecular formula C10H18N6O and a molecular weight of 238.29 g/mol. Its IUPAC name is 4-N-ethyl-2-N,2-N-dimethyl-6-(propan-2-ylideneamino)oxy-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-2-N,2-N-dimethyl-6-(propan-2-ylideneamino)oxy-1,3,5-triazine-2,4-diamine
PubChem CID709446
Molecular FormulaC10H18N6O
Molecular Weight238.29 g/mol
Exact Mass238.15
IUPAC Name4-N-ethyl-2-N,2-N-dimethyl-6-(propan-2-ylideneamino)oxy-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(ON=C(C)C)nc(N(C)C)n1
InChIInChI=1S/C10H18N6O/c1-6-11-8-12-9(16(4)5)14-10(13-8)17-15-7(2)3/h6H2,1-5H3,(H,11,12,13,14)
InChIKeyWHYGFLPJEPVZRD-UHFFFAOYSA-N
XLogP1.14
TPSA75.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-N-ethyl-2-N,2-N-dimethyl-6-(propan-2-ylideneamino)oxy-1,3,5-triazine-2,4-diamine 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

N-(butan-2-yl)-N'-ethyl-6-[(propan-2-ylideneamino)oxy]-1,3,5-triazine-2,4-diamine
CID 3098377
2-Methoxy-4-isopropylamino-6-diethylamino-S-triazine
CID 18152
Ena-001
CID 57340959
N,N,N',N'-tetramethyl-6-[(propan-2-ylideneamino)oxy]-1,3,5-triazine-2,4-diamine
CID 667823
2-N-[amino-(methoxyamino)methyl]-6-N-ethyl-4-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine
CID 3125281
Propan-2-one O-(4,6-bis-ethylamino-[1,3,5]triazin-2-yl)-oxime
CID 667824
Propan-2-one O-(4-ethylamino-6-isopropylamino-[1,3,5]triazin-2-yl)-oxime
CID 827409
N-[4,6-bis(isopropylamino)-1,3,5-triazin-2-yl]-N,N-dimethylamine
CID 1119847
[4,6-Bis(propan-2-ylamino)-1,3,5-triazin-2-yl](methoxymethyl)cyanamide
CID 827524
6-{[(2E)-butan-2-ylideneamino]oxy}-N,N-dimethyl-1,3,5-triazine-2,4-diamine
CID 5349514
6-[(Z)-butan-2-ylideneamino]oxy-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 5415355
acetone O-[4,6-bis(methylamino)-1,3,5-triazin-2-yl]oxime
CID 13928868

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-2-N,2-N-dimethyl-6-(propan-2-ylideneamino)oxy-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-ethyl-2-N,2-N-dimethyl-6-(propan-2-ylideneamino)oxy-1,3,5-triazine-2,4-diamine (CID 709446) is 4-N-ethyl-2-N,2-N-dimethyl-6-(propan-2-ylideneamino)oxy-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-ethyl-2-N,2-N-dimethyl-6-(propan-2-ylideneamino)oxy-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-ethyl-2-N,2-N-dimethyl-6-(propan-2-ylideneamino)oxy-1,3,5-triazine-2,4-diamine is CCNc1nc(ON=C(C)C)nc(N(C)C)n1.
What is the InChIKey of 4-N-ethyl-2-N,2-N-dimethyl-6-(propan-2-ylideneamino)oxy-1,3,5-triazine-2,4-diamine?
The InChIKey is WHYGFLPJEPVZRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N6O/c1-6-11-8-12-9(16(4)5)14-10(13-8)17-15-7(2)3/h6H2,1-5H3,(H,11,12,13,14).
What are the key properties of 4-N-ethyl-2-N,2-N-dimethyl-6-(propan-2-ylideneamino)oxy-1,3,5-triazine-2,4-diamine?
4-N-ethyl-2-N,2-N-dimethyl-6-(propan-2-ylideneamino)oxy-1,3,5-triazine-2,4-diamine has a molecular weight of 238.29 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-2-N,2-N-dimethyl-6-(propan-2-ylideneamino)oxy-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 709446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).