[[amino-(hydroxyamino)methylidene]amino]-[(4-methoxyphenyl)methylidene]azanium

C9H13N4O2+ — CID 4227157

IUPAC[[amino-(hydroxyamino)methylidene]amino]-[(4-methoxyphenyl)methylidene]azanium
SMILESCOc1ccc(C=[NH+]N=C(N)NO)cc1
InChIInChI=1S/C9H12N4O2/c1-15-8-4-2-7(3-5-8)6-11-12-9(10)13-14/h2-6,14H,1H3,(H3,10,12,13)/p+1
InChIKeyDIYFLXBCTGCZCA-UHFFFAOYSA-O
MW209.23 g/mol
LogP-1.60
Rot. Bonds3

About [[amino-(hydroxyamino)methylidene]amino]-[(4-methoxyphenyl)methylidene]azanium

[[amino-(hydroxyamino)methylidene]amino]-[(4-methoxyphenyl)methylidene]azanium (PubChem CID 4227157) has the molecular formula C9H13N4O2+ and a molecular weight of 209.23 g/mol. Its IUPAC name is [[amino-(hydroxyamino)methylidene]amino]-[(4-methoxyphenyl)methylidene]azanium.

Molecular Properties

Compound Name[[amino-(hydroxyamino)methylidene]amino]-[(4-methoxyphenyl)methylidene]azanium
PubChem CID4227157
Molecular FormulaC9H13N4O2+
Molecular Weight209.23 g/mol
Exact Mass209.10
IUPAC Name[[amino-(hydroxyamino)methylidene]amino]-[(4-methoxyphenyl)methylidene]azanium
SMILESCOc1ccc(C=[NH+]N=C(N)NO)cc1
InChIInChI=1S/C9H12N4O2/c1-15-8-4-2-7(3-5-8)6-11-12-9(10)13-14/h2-6,14H,1H3,(H3,10,12,13)/p+1
InChIKeyDIYFLXBCTGCZCA-UHFFFAOYSA-O
XLogP-1.60
TPSA93.84 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.23
LogP ≤ 5-1.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-[[amino(nitramido)methylidene]amino]-[(4-methoxyphenyl)methylidene]azanium
CID 6943517
1-methoxy-4-[2-[4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 76573307
[(Z)-[(Z)-3-(4-methoxyphenyl)prop-2-enylidene]amino]thiourea
CID 93084415
1-hydroxy-2-[(E)-2-(4-methoxyphenoxy)ethylideneamino]guanidine
CID 11838398
(Z)-(diaminomethylideneamino)-[[4-[(4-methoxycarbonylphenyl)methoxy]phenyl]methylidene]azanium
CID 11921634
1,2-bis[(E)-(4-methoxyphenyl)methylideneamino]guanidine
CID 54753081
1-[(E)-(4-methoxyphenyl)methylideneamino]-2-[(Z)-(4-methoxyphenyl)methylideneamino]guanidine
CID 119080623
1-(dihydroxyamino)-2-[(4-methoxyphenyl)methylideneamino]guanidine
CID 3802912
(Z)-1-(4-methoxyphenyl)-N-oxidomethanimine
CID 11389669
1,3-bis[(4-methoxyphenyl)methylideneamino]thiourea
CID 712024
2-methoxy-3-(4-methoxyphenyl)prop-2-enamide
CID 165349278
1-methoxy-4-[(1E)-4-methylpenta-1,3-dienyl]benzene
CID 10965272

Frequently Asked Questions

What is the IUPAC name of [[amino-(hydroxyamino)methylidene]amino]-[(4-methoxyphenyl)methylidene]azanium?
The IUPAC name of [[amino-(hydroxyamino)methylidene]amino]-[(4-methoxyphenyl)methylidene]azanium (CID 4227157) is [[amino-(hydroxyamino)methylidene]amino]-[(4-methoxyphenyl)methylidene]azanium.
What is the SMILES notation for [[amino-(hydroxyamino)methylidene]amino]-[(4-methoxyphenyl)methylidene]azanium?
The canonical SMILES for [[amino-(hydroxyamino)methylidene]amino]-[(4-methoxyphenyl)methylidene]azanium is COc1ccc(C=[NH+]N=C(N)NO)cc1.
What is the InChIKey of [[amino-(hydroxyamino)methylidene]amino]-[(4-methoxyphenyl)methylidene]azanium?
The InChIKey is DIYFLXBCTGCZCA-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H12N4O2/c1-15-8-4-2-7(3-5-8)6-11-12-9(10)13-14/h2-6,14H,1H3,(H3,10,12,13)/p+1.
What are the key properties of [[amino-(hydroxyamino)methylidene]amino]-[(4-methoxyphenyl)methylidene]azanium?
[[amino-(hydroxyamino)methylidene]amino]-[(4-methoxyphenyl)methylidene]azanium has a molecular weight of 209.23 g/mol, XLogP of -1.60, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [[amino-(hydroxyamino)methylidene]amino]-[(4-methoxyphenyl)methylidene]azanium is sourced from PubChem (CID 4227157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).