N-ethyl-N-[4-[ethyl(hydroxy)amino]-6-[(methoxyamino)methyl]-1,3,5-triazin-2-yl]hydroxylamine

C9H18N6O3 — CID 58151858

IUPACN-ethyl-N-[4-[ethyl(hydroxy)amino]-6-[(methoxyamino)methyl]-1,3,5-triazin-2-yl]hydroxylamine
SMILESCCN(O)c1nc(CNOC)nc(N(O)CC)n1
InChIInChI=1S/C9H18N6O3/c1-4-14(16)8-11-7(6-10-18-3)12-9(13-8)15(17)5-2/h10,16-17H,4-6H2,1-3H3
InChIKeyUTMMKJQLKMATBK-UHFFFAOYSA-N
MW258.28 g/mol
LogP-0.05
Rot. Bonds7

About N-ethyl-N-[4-[ethyl(hydroxy)amino]-6-[(methoxyamino)methyl]-1,3,5-triazin-2-yl]hydroxylamine

N-ethyl-N-[4-[ethyl(hydroxy)amino]-6-[(methoxyamino)methyl]-1,3,5-triazin-2-yl]hydroxylamine (PubChem CID 58151858) has the molecular formula C9H18N6O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is N-ethyl-N-[4-[ethyl(hydroxy)amino]-6-[(methoxyamino)methyl]-1,3,5-triazin-2-yl]hydroxylamine.

Molecular Properties

Compound NameN-ethyl-N-[4-[ethyl(hydroxy)amino]-6-[(methoxyamino)methyl]-1,3,5-triazin-2-yl]hydroxylamine
PubChem CID58151858
Molecular FormulaC9H18N6O3
Molecular Weight258.28 g/mol
Exact Mass258.14
IUPAC NameN-ethyl-N-[4-[ethyl(hydroxy)amino]-6-[(methoxyamino)methyl]-1,3,5-triazin-2-yl]hydroxylamine
SMILESCCN(O)c1nc(CNOC)nc(N(O)CC)n1
InChIInChI=1S/C9H18N6O3/c1-4-14(16)8-11-7(6-10-18-3)12-9(13-8)15(17)5-2/h10,16-17H,4-6H2,1-3H3
InChIKeyUTMMKJQLKMATBK-UHFFFAOYSA-N
XLogP-0.05
TPSA106.87 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[4-[ethyl(hydroxy)amino]-6-[(methoxyamino)methyl]-1,3,5-triazin-2-yl]hydroxylamine?
The IUPAC name of N-ethyl-N-[4-[ethyl(hydroxy)amino]-6-[(methoxyamino)methyl]-1,3,5-triazin-2-yl]hydroxylamine (CID 58151858) is N-ethyl-N-[4-[ethyl(hydroxy)amino]-6-[(methoxyamino)methyl]-1,3,5-triazin-2-yl]hydroxylamine.
What is the SMILES notation for N-ethyl-N-[4-[ethyl(hydroxy)amino]-6-[(methoxyamino)methyl]-1,3,5-triazin-2-yl]hydroxylamine?
The canonical SMILES for N-ethyl-N-[4-[ethyl(hydroxy)amino]-6-[(methoxyamino)methyl]-1,3,5-triazin-2-yl]hydroxylamine is CCN(O)c1nc(CNOC)nc(N(O)CC)n1.
What is the InChIKey of N-ethyl-N-[4-[ethyl(hydroxy)amino]-6-[(methoxyamino)methyl]-1,3,5-triazin-2-yl]hydroxylamine?
The InChIKey is UTMMKJQLKMATBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N6O3/c1-4-14(16)8-11-7(6-10-18-3)12-9(13-8)15(17)5-2/h10,16-17H,4-6H2,1-3H3.
What are the key properties of N-ethyl-N-[4-[ethyl(hydroxy)amino]-6-[(methoxyamino)methyl]-1,3,5-triazin-2-yl]hydroxylamine?
N-ethyl-N-[4-[ethyl(hydroxy)amino]-6-[(methoxyamino)methyl]-1,3,5-triazin-2-yl]hydroxylamine has a molecular weight of 258.28 g/mol, XLogP of -0.05, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[4-[ethyl(hydroxy)amino]-6-[(methoxyamino)methyl]-1,3,5-triazin-2-yl]hydroxylamine is sourced from PubChem (CID 58151858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).