N'-hydrazinyl-1,3-benzodioxole-5-carboximidamide

C8H10N4O2 — CID 144611509

IUPACN'-hydrazinyl-1,3-benzodioxole-5-carboximidamide
SMILESNN/N=C(\N)c1ccc2c(c1)OCO2
InChIInChI=1S/C8H10N4O2/c9-8(11-12-10)5-1-2-6-7(3-5)14-4-13-6/h1-3,12H,4,10H2,(H2,9,11)
InChIKeySMHRDFRBGSYNEM-UHFFFAOYSA-N
MW194.19 g/mol
LogP-0.50
Rot. Bonds2

About N'-hydrazinyl-1,3-benzodioxole-5-carboximidamide

N'-hydrazinyl-1,3-benzodioxole-5-carboximidamide (PubChem CID 144611509) has the molecular formula C8H10N4O2 and a molecular weight of 194.19 g/mol. Its IUPAC name is N'-hydrazinyl-1,3-benzodioxole-5-carboximidamide.

Molecular Properties

Compound NameN'-hydrazinyl-1,3-benzodioxole-5-carboximidamide
PubChem CID144611509
Molecular FormulaC8H10N4O2
Molecular Weight194.19 g/mol
Exact Mass194.08
IUPAC NameN'-hydrazinyl-1,3-benzodioxole-5-carboximidamide
SMILESNN/N=C(\N)c1ccc2c(c1)OCO2
InChIInChI=1S/C8H10N4O2/c9-8(11-12-10)5-1-2-6-7(3-5)14-4-13-6/h1-3,12H,4,10H2,(H2,9,11)
InChIKeySMHRDFRBGSYNEM-UHFFFAOYSA-N
XLogP-0.50
TPSA94.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 5-0.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'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

N'-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]oxamide
CID 6085946
N-[amino(pyridin-4-yl)methylidene]-1,3-benzodioxole-5-carboxamide
CID 143910152
(1,3-benzodioxole-5-carbonylamino)thiourea
CID 12654315
N-[2-amino-1-(1,3-benzodioxol-5-yl)ethylidene]hydroxylamine
CID 53397824
CID 59303845
CID 59303845
N-(3-amino-3-oxopropyl)-1,3-benzodioxole-5-carboxamide
CID 82083552
[[amino-(3-bromophenyl)methylidene]amino] 1,3-benzodioxole-5-carboxylate
CID 2977043
[(E)-[amino(1,3-benzodioxol-5-yl)methylidene]amino] 1H-pyrrole-2-carboxylate
CID 172906745
1,3-benzodioxole-5-carboxamide;benzoic acid
CID 175362662
N-[(E)-[(2E)-2-(1,3-benzodioxole-5-carbonylhydrazinylidene)ethylidene]amino]-1,3-benzodioxole-5-carboxamide
CID 7303308
N'-(1,3-benzodioxole-5-carbonyl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 9401431
1,3-benzodioxol-5-ol;methane
CID 68940822

Frequently Asked Questions

What is the IUPAC name of N'-hydrazinyl-1,3-benzodioxole-5-carboximidamide?
The IUPAC name of N'-hydrazinyl-1,3-benzodioxole-5-carboximidamide (CID 144611509) is N'-hydrazinyl-1,3-benzodioxole-5-carboximidamide.
What is the SMILES notation for N'-hydrazinyl-1,3-benzodioxole-5-carboximidamide?
The canonical SMILES for N'-hydrazinyl-1,3-benzodioxole-5-carboximidamide is NN/N=C(\N)c1ccc2c(c1)OCO2.
What is the InChIKey of N'-hydrazinyl-1,3-benzodioxole-5-carboximidamide?
The InChIKey is SMHRDFRBGSYNEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O2/c9-8(11-12-10)5-1-2-6-7(3-5)14-4-13-6/h1-3,12H,4,10H2,(H2,9,11).
What are the key properties of N'-hydrazinyl-1,3-benzodioxole-5-carboximidamide?
N'-hydrazinyl-1,3-benzodioxole-5-carboximidamide has a molecular weight of 194.19 g/mol, XLogP of -0.50, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydrazinyl-1,3-benzodioxole-5-carboximidamide is sourced from PubChem (CID 144611509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).