N-[[4-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]phenyl]methylidene]hydroxylamine

C13H15N5O3 — CID 705411

IUPACN-[[4-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]phenyl]methylidene]hydroxylamine
SMILESCCNc1nc(OC)nc(Oc2ccc(C=NO)cc2)n1
InChIInChI=1S/C13H15N5O3/c1-3-14-11-16-12(20-2)18-13(17-11)21-10-6-4-9(5-7-10)8-15-19/h4-8,19H,3H2,1-2H3,(H,14,16,17,18)
InChIKeyDJNQKGJGWWHXAW-UHFFFAOYSA-N
MW289.30 g/mol
LogP1.91
Rot. Bonds6

About N-[[4-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]phenyl]methylidene]hydroxylamine

N-[[4-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]phenyl]methylidene]hydroxylamine (PubChem CID 705411) has the molecular formula C13H15N5O3 and a molecular weight of 289.30 g/mol. Its IUPAC name is N-[[4-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]phenyl]methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[[4-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]phenyl]methylidene]hydroxylamine
PubChem CID705411
Molecular FormulaC13H15N5O3
Molecular Weight289.30 g/mol
Exact Mass289.12
IUPAC NameN-[[4-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]phenyl]methylidene]hydroxylamine
SMILESCCNc1nc(OC)nc(Oc2ccc(C=NO)cc2)n1
InChIInChI=1S/C13H15N5O3/c1-3-14-11-16-12(20-2)18-13(17-11)21-10-6-4-9(5-7-10)8-15-19/h4-8,19H,3H2,1-2H3,(H,14,16,17,18)
InChIKeyDJNQKGJGWWHXAW-UHFFFAOYSA-N
XLogP1.91
TPSA101.75 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 51.91
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of N-[[4-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]phenyl]methylidene]hydroxylamine?
The IUPAC name of N-[[4-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]phenyl]methylidene]hydroxylamine (CID 705411) is N-[[4-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]phenyl]methylidene]hydroxylamine.
What is the SMILES notation for N-[[4-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]phenyl]methylidene]hydroxylamine?
The canonical SMILES for N-[[4-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]phenyl]methylidene]hydroxylamine is CCNc1nc(OC)nc(Oc2ccc(C=NO)cc2)n1.
What is the InChIKey of N-[[4-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]phenyl]methylidene]hydroxylamine?
The InChIKey is DJNQKGJGWWHXAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O3/c1-3-14-11-16-12(20-2)18-13(17-11)21-10-6-4-9(5-7-10)8-15-19/h4-8,19H,3H2,1-2H3,(H,14,16,17,18).
What are the key properties of N-[[4-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]phenyl]methylidene]hydroxylamine?
N-[[4-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]phenyl]methylidene]hydroxylamine has a molecular weight of 289.30 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]phenyl]methylidene]hydroxylamine is sourced from PubChem (CID 705411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).