N-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-ylidene]hydroxylamine

C10H15N5O3 — CID 62861068

IUPACN-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-ylidene]hydroxylamine
SMILESCOc1nc(OC)nc(N2CCC(=NO)CC2)n1
InChIInChI=1S/C10H15N5O3/c1-17-9-11-8(12-10(13-9)18-2)15-5-3-7(14-16)4-6-15/h16H,3-6H2,1-2H3
InChIKeyMZSZMVALBDNZDM-UHFFFAOYSA-N
MW253.26 g/mol
LogP0.32
Rot. Bonds3

About N-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-ylidene]hydroxylamine

N-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-ylidene]hydroxylamine (PubChem CID 62861068) has the molecular formula C10H15N5O3 and a molecular weight of 253.26 g/mol. Its IUPAC name is N-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-ylidene]hydroxylamine
PubChem CID62861068
Molecular FormulaC10H15N5O3
Molecular Weight253.26 g/mol
Exact Mass253.12
IUPAC NameN-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-ylidene]hydroxylamine
SMILESCOc1nc(OC)nc(N2CCC(=NO)CC2)n1
InChIInChI=1S/C10H15N5O3/c1-17-9-11-8(12-10(13-9)18-2)15-5-3-7(14-16)4-6-15/h16H,3-6H2,1-2H3
InChIKeyMZSZMVALBDNZDM-UHFFFAOYSA-N
XLogP0.32
TPSA92.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,4-Dimethoxy-6-(piperidin-1-yl)-1,3,5-triazine
CID 816732
2-(1-Ethylpiperidin-1-ium-1-yl)-4,6-dimethoxy-1,3,5-triazine
CID 18420077
2,4-Dimethoxy-6-(1-methylpiperidin-1-ium-1-yl)-1,3,5-triazine
CID 16678300
N-ethyl-4-[(propan-2-ylideneamino)methoxy]-6-(propan-2-ylideneamino)oxy-N-propyl-1,3,5-triazin-2-amine
CID 144612026
N,N-dimethyl-4-(piperidin-1-yl)-6-[(propan-2-ylideneamino)oxy]-1,3,5-triazin-2-amine
CID 942534
N-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]oxy]propan-2-imine
CID 27396202

Frequently Asked Questions

What is the IUPAC name of N-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-ylidene]hydroxylamine?
The IUPAC name of N-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-ylidene]hydroxylamine (CID 62861068) is N-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-ylidene]hydroxylamine.
What is the SMILES notation for N-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-ylidene]hydroxylamine?
The canonical SMILES for N-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-ylidene]hydroxylamine is COc1nc(OC)nc(N2CCC(=NO)CC2)n1.
What is the InChIKey of N-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-ylidene]hydroxylamine?
The InChIKey is MZSZMVALBDNZDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O3/c1-17-9-11-8(12-10(13-9)18-2)15-5-3-7(14-16)4-6-15/h16H,3-6H2,1-2H3.
What are the key properties of N-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-ylidene]hydroxylamine?
N-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-ylidene]hydroxylamine has a molecular weight of 253.26 g/mol, XLogP of 0.32, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-ylidene]hydroxylamine is sourced from PubChem (CID 62861068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).