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

C11H20N6O — CID 827409

IUPAC4-N-ethyl-2-N-propan-2-yl-6-(propan-2-ylideneamino)oxy-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(NC(C)C)nc(ON=C(C)C)n1
InChIInChI=1S/C11H20N6O/c1-6-12-9-14-10(13-7(2)3)16-11(15-9)18-17-8(4)5/h7H,6H2,1-5H3,(H2,12,13,14,15,16)
InChIKeyXUTPCLFHCSYZQU-UHFFFAOYSA-N
MW252.32 g/mol
LogP1.90
Rot. Bonds6

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

4-N-ethyl-2-N-propan-2-yl-6-(propan-2-ylideneamino)oxy-1,3,5-triazine-2,4-diamine (PubChem CID 827409) has the molecular formula C11H20N6O and a molecular weight of 252.32 g/mol. Its IUPAC name is 4-N-ethyl-2-N-propan-2-yl-6-(propan-2-ylideneamino)oxy-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-2-N-propan-2-yl-6-(propan-2-ylideneamino)oxy-1,3,5-triazine-2,4-diamine
PubChem CID827409
Molecular FormulaC11H20N6O
Molecular Weight252.32 g/mol
Exact Mass252.17
IUPAC Name4-N-ethyl-2-N-propan-2-yl-6-(propan-2-ylideneamino)oxy-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(NC(C)C)nc(ON=C(C)C)n1
InChIInChI=1S/C11H20N6O/c1-6-12-9-14-10(13-7(2)3)16-11(15-9)18-17-8(4)5/h7H,6H2,1-5H3,(H2,12,13,14,15,16)
InChIKeyXUTPCLFHCSYZQU-UHFFFAOYSA-N
XLogP1.90
TPSA84.32 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 51.90
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'}

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Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-2-N-propan-2-yl-6-(propan-2-ylideneamino)oxy-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-ethyl-2-N-propan-2-yl-6-(propan-2-ylideneamino)oxy-1,3,5-triazine-2,4-diamine (CID 827409) is 4-N-ethyl-2-N-propan-2-yl-6-(propan-2-ylideneamino)oxy-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-ethyl-2-N-propan-2-yl-6-(propan-2-ylideneamino)oxy-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-ethyl-2-N-propan-2-yl-6-(propan-2-ylideneamino)oxy-1,3,5-triazine-2,4-diamine is CCNc1nc(NC(C)C)nc(ON=C(C)C)n1.
What is the InChIKey of 4-N-ethyl-2-N-propan-2-yl-6-(propan-2-ylideneamino)oxy-1,3,5-triazine-2,4-diamine?
The InChIKey is XUTPCLFHCSYZQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N6O/c1-6-12-9-14-10(13-7(2)3)16-11(15-9)18-17-8(4)5/h7H,6H2,1-5H3,(H2,12,13,14,15,16).
What are the key properties of 4-N-ethyl-2-N-propan-2-yl-6-(propan-2-ylideneamino)oxy-1,3,5-triazine-2,4-diamine?
4-N-ethyl-2-N-propan-2-yl-6-(propan-2-ylideneamino)oxy-1,3,5-triazine-2,4-diamine has a molecular weight of 252.32 g/mol, XLogP of 1.90, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-2-N-propan-2-yl-6-(propan-2-ylideneamino)oxy-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 827409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).