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

C12H22N6O — CID 3098377

IUPAC2-N-butan-2-yl-4-N-ethyl-6-(propan-2-ylideneamino)oxy-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(NC(C)CC)nc(ON=C(C)C)n1
InChIInChI=1S/C12H22N6O/c1-6-9(5)14-11-15-10(13-7-2)16-12(17-11)19-18-8(3)4/h9H,6-7H2,1-5H3,(H2,13,14,15,16,17)
InChIKeyGHADMIZLDQOPPC-UHFFFAOYSA-N
MW266.35 g/mol
LogP2.29
Rot. Bonds7

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

2-N-butan-2-yl-4-N-ethyl-6-(propan-2-ylideneamino)oxy-1,3,5-triazine-2,4-diamine (PubChem CID 3098377) has the molecular formula C12H22N6O and a molecular weight of 266.35 g/mol. Its IUPAC name is 2-N-butan-2-yl-4-N-ethyl-6-(propan-2-ylideneamino)oxy-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-butan-2-yl-4-N-ethyl-6-(propan-2-ylideneamino)oxy-1,3,5-triazine-2,4-diamine
PubChem CID3098377
Molecular FormulaC12H22N6O
Molecular Weight266.35 g/mol
Exact Mass266.19
IUPAC Name2-N-butan-2-yl-4-N-ethyl-6-(propan-2-ylideneamino)oxy-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(NC(C)CC)nc(ON=C(C)C)n1
InChIInChI=1S/C12H22N6O/c1-6-9(5)14-11-15-10(13-7-2)16-12(17-11)19-18-8(3)4/h9H,6-7H2,1-5H3,(H2,13,14,15,16,17)
InChIKeyGHADMIZLDQOPPC-UHFFFAOYSA-N
XLogP2.29
TPSA84.32 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 52.29
H-Bond Donors ≤ 52
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 2-N-butan-2-yl-4-N-ethyl-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

Prometon
CID 4928
Atraton
CID 15359
Secbumeton
CID 33443
[4-(Butan-2-ylamino)-6-methoxy-1,3,5-triazin-2-yl]methylcyanamide
CID 657554
N-[4-(butylamino)-6-[hydroxy(methyl)amino]-1,3,5-triazin-2-yl]-N-methylhydroxylamine
CID 46226431
Ena-001
CID 57340959
Propan-2-one O-(4-dimethylamino-6-ethylamino-[1,3,5]triazin-2-yl)-oxime
CID 709446
Melamine, N2,N4,N6-triisopropyl-
CID 21623
Ammiline
CID 186157
1,3,5-Triazine-2,4,6-triamine, N-ethyl-N'-(1-methylethyl)-
CID 11217811
2-N-[amino-(methoxyamino)methyl]-6-N-ethyl-4-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine
CID 3125281
[4,6-Bis(propan-2-ylamino)-1,3,5-triazin-2-yl]urea
CID 1158998

Frequently Asked Questions

What is the IUPAC name of 2-N-butan-2-yl-4-N-ethyl-6-(propan-2-ylideneamino)oxy-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-butan-2-yl-4-N-ethyl-6-(propan-2-ylideneamino)oxy-1,3,5-triazine-2,4-diamine (CID 3098377) is 2-N-butan-2-yl-4-N-ethyl-6-(propan-2-ylideneamino)oxy-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-butan-2-yl-4-N-ethyl-6-(propan-2-ylideneamino)oxy-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-butan-2-yl-4-N-ethyl-6-(propan-2-ylideneamino)oxy-1,3,5-triazine-2,4-diamine is CCNc1nc(NC(C)CC)nc(ON=C(C)C)n1.
What is the InChIKey of 2-N-butan-2-yl-4-N-ethyl-6-(propan-2-ylideneamino)oxy-1,3,5-triazine-2,4-diamine?
The InChIKey is GHADMIZLDQOPPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N6O/c1-6-9(5)14-11-15-10(13-7-2)16-12(17-11)19-18-8(3)4/h9H,6-7H2,1-5H3,(H2,13,14,15,16,17).
What are the key properties of 2-N-butan-2-yl-4-N-ethyl-6-(propan-2-ylideneamino)oxy-1,3,5-triazine-2,4-diamine?
2-N-butan-2-yl-4-N-ethyl-6-(propan-2-ylideneamino)oxy-1,3,5-triazine-2,4-diamine has a molecular weight of 266.35 g/mol, XLogP of 2.29, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-butan-2-yl-4-N-ethyl-6-(propan-2-ylideneamino)oxy-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 3098377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).