4-morpholin-4-yl-6-[(E)-(4-nitrophenyl)methylideneamino]oxy-1,3,5-triazin-2-amine

C14H15N7O4 — CID 5349526

IUPAC4-morpholin-4-yl-6-[(E)-(4-nitrophenyl)methylideneamino]oxy-1,3,5-triazin-2-amine
SMILESNc1nc(O/N=C/c2ccc([N+](=O)[O-])cc2)nc(N2CCOCC2)n1
InChIInChI=1S/C14H15N7O4/c15-12-17-13(20-5-7-24-8-6-20)19-14(18-12)25-16-9-10-1-3-11(4-2-10)21(22)23/h1-4,9H,5-8H2,(H2,15,17,18,19)/b16-9+
InChIKeyLNLWVMUKDKIWLS-CXUHLZMHSA-N
MW345.32 g/mol
LogP0.61
Rot. Bonds5

About 4-morpholin-4-yl-6-[(E)-(4-nitrophenyl)methylideneamino]oxy-1,3,5-triazin-2-amine

4-morpholin-4-yl-6-[(E)-(4-nitrophenyl)methylideneamino]oxy-1,3,5-triazin-2-amine (PubChem CID 5349526) has the molecular formula C14H15N7O4 and a molecular weight of 345.32 g/mol. Its IUPAC name is 4-morpholin-4-yl-6-[(E)-(4-nitrophenyl)methylideneamino]oxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-morpholin-4-yl-6-[(E)-(4-nitrophenyl)methylideneamino]oxy-1,3,5-triazin-2-amine
PubChem CID5349526
Molecular FormulaC14H15N7O4
Molecular Weight345.32 g/mol
Exact Mass345.12
IUPAC Name4-morpholin-4-yl-6-[(E)-(4-nitrophenyl)methylideneamino]oxy-1,3,5-triazin-2-amine
SMILESNc1nc(O/N=C/c2ccc([N+](=O)[O-])cc2)nc(N2CCOCC2)n1
InChIInChI=1S/C14H15N7O4/c15-12-17-13(20-5-7-24-8-6-20)19-14(18-12)25-16-9-10-1-3-11(4-2-10)21(22)23/h1-4,9H,5-8H2,(H2,15,17,18,19)/b16-9+
InChIKeyLNLWVMUKDKIWLS-CXUHLZMHSA-N
XLogP0.61
TPSA141.89 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.32
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-morpholin-4-ylphenyl)methylideneamino]-4-nitroaniline
CID 4061939
4,6-dimorpholin-4-yl-N-(4-nitrophenyl)-1,3,5-triazin-2-amine
CID 129216917
N-[(E)-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
CID 5334005
4-(2,2-difluoroethoxy)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 82008989
4-morpholin-4-yl-6-(oxan-4-yloxy)-1,3,5-triazin-2-amine
CID 80873023
2-methoxy-4-[(E)-[[4-morpholin-4-yl-6-(4-nitroanilino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol
CID 135685495
[4-[(Z)-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]-2-ethoxyphenyl] 4-nitrobenzoate
CID 124544758
4-morpholin-4-yl-N-[(E)-(4-nitrophenyl)methylideneamino]-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-amine
CID 86345973
4-[5-[2-(5-nitro-2-pyridinyl)ethenyl]pyrimidin-2-yl]morpholine
CID 127265068
1-(4-morpholin-4-ylphenyl)-3-(4-nitrophenyl)prop-2-en-1-one
CID 4559641
4-(3-chlorophenoxy)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 80865052
2-N-[(E)-(3-bromophenyl)methylideneamino]-6-morpholin-4-yl-4-N-(4-nitrophenyl)-1,3,5-triazine-2,4-diamine
CID 56696120

Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-yl-6-[(E)-(4-nitrophenyl)methylideneamino]oxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-morpholin-4-yl-6-[(E)-(4-nitrophenyl)methylideneamino]oxy-1,3,5-triazin-2-amine (CID 5349526) is 4-morpholin-4-yl-6-[(E)-(4-nitrophenyl)methylideneamino]oxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-morpholin-4-yl-6-[(E)-(4-nitrophenyl)methylideneamino]oxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-morpholin-4-yl-6-[(E)-(4-nitrophenyl)methylideneamino]oxy-1,3,5-triazin-2-amine is Nc1nc(O/N=C/c2ccc([N+](=O)[O-])cc2)nc(N2CCOCC2)n1.
What is the InChIKey of 4-morpholin-4-yl-6-[(E)-(4-nitrophenyl)methylideneamino]oxy-1,3,5-triazin-2-amine?
The InChIKey is LNLWVMUKDKIWLS-CXUHLZMHSA-N. The full InChI is InChI=1S/C14H15N7O4/c15-12-17-13(20-5-7-24-8-6-20)19-14(18-12)25-16-9-10-1-3-11(4-2-10)21(22)23/h1-4,9H,5-8H2,(H2,15,17,18,19)/b16-9+.
What are the key properties of 4-morpholin-4-yl-6-[(E)-(4-nitrophenyl)methylideneamino]oxy-1,3,5-triazin-2-amine?
4-morpholin-4-yl-6-[(E)-(4-nitrophenyl)methylideneamino]oxy-1,3,5-triazin-2-amine has a molecular weight of 345.32 g/mol, XLogP of 0.61, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-yl-6-[(E)-(4-nitrophenyl)methylideneamino]oxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 5349526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).