N-tert-butyl-N-[(E)-[2-(1H-imidazol-5-yl)imidazol-4-ylidene]methyl]hydroxylamine

C11H15N5O — CID 135452011

IUPACN-tert-butyl-N-[(E)-[2-(1H-imidazol-5-yl)imidazol-4-ylidene]methyl]hydroxylamine
SMILESCC(C)(C)N(O)/C=C1\C=NC(c2cnc[nH]2)=N1
InChIInChI=1S/C11H15N5O/c1-11(2,3)16(17)6-8-4-13-10(15-8)9-5-12-7-14-9/h4-7,17H,1-3H3,(H,12,14)/b8-6+
InChIKeyNDRJTNPBWWJLOX-SOFGYWHQSA-N
MW233.27 g/mol
LogP1.57
Rot. Bonds2

About N-tert-butyl-N-[(E)-[2-(1H-imidazol-5-yl)imidazol-4-ylidene]methyl]hydroxylamine

N-tert-butyl-N-[(E)-[2-(1H-imidazol-5-yl)imidazol-4-ylidene]methyl]hydroxylamine (PubChem CID 135452011) has the molecular formula C11H15N5O and a molecular weight of 233.27 g/mol. Its IUPAC name is N-tert-butyl-N-[(E)-[2-(1H-imidazol-5-yl)imidazol-4-ylidene]methyl]hydroxylamine.

Molecular Properties

Compound NameN-tert-butyl-N-[(E)-[2-(1H-imidazol-5-yl)imidazol-4-ylidene]methyl]hydroxylamine
PubChem CID135452011
Molecular FormulaC11H15N5O
Molecular Weight233.27 g/mol
Exact Mass233.13
IUPAC NameN-tert-butyl-N-[(E)-[2-(1H-imidazol-5-yl)imidazol-4-ylidene]methyl]hydroxylamine
SMILESCC(C)(C)N(O)/C=C1\C=NC(c2cnc[nH]2)=N1
InChIInChI=1S/C11H15N5O/c1-11(2,3)16(17)6-8-4-13-10(15-8)9-5-12-7-14-9/h4-7,17H,1-3H3,(H,12,14)/b8-6+
InChIKeyNDRJTNPBWWJLOX-SOFGYWHQSA-N
XLogP1.57
TPSA76.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-tert-butyl-N-[(E)-[2-(1H-imidazol-5-yl)imidazol-4-ylidene]methyl]hydroxylamine?
The IUPAC name of N-tert-butyl-N-[(E)-[2-(1H-imidazol-5-yl)imidazol-4-ylidene]methyl]hydroxylamine (CID 135452011) is N-tert-butyl-N-[(E)-[2-(1H-imidazol-5-yl)imidazol-4-ylidene]methyl]hydroxylamine.
What is the SMILES notation for N-tert-butyl-N-[(E)-[2-(1H-imidazol-5-yl)imidazol-4-ylidene]methyl]hydroxylamine?
The canonical SMILES for N-tert-butyl-N-[(E)-[2-(1H-imidazol-5-yl)imidazol-4-ylidene]methyl]hydroxylamine is CC(C)(C)N(O)/C=C1\C=NC(c2cnc[nH]2)=N1.
What is the InChIKey of N-tert-butyl-N-[(E)-[2-(1H-imidazol-5-yl)imidazol-4-ylidene]methyl]hydroxylamine?
The InChIKey is NDRJTNPBWWJLOX-SOFGYWHQSA-N. The full InChI is InChI=1S/C11H15N5O/c1-11(2,3)16(17)6-8-4-13-10(15-8)9-5-12-7-14-9/h4-7,17H,1-3H3,(H,12,14)/b8-6+.
What are the key properties of N-tert-butyl-N-[(E)-[2-(1H-imidazol-5-yl)imidazol-4-ylidene]methyl]hydroxylamine?
N-tert-butyl-N-[(E)-[2-(1H-imidazol-5-yl)imidazol-4-ylidene]methyl]hydroxylamine has a molecular weight of 233.27 g/mol, XLogP of 1.57, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-[(E)-[2-(1H-imidazol-5-yl)imidazol-4-ylidene]methyl]hydroxylamine is sourced from PubChem (CID 135452011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).