2-N,2-N-dihydroxy-1-N-(2-methylprop-2-enylideneamino)-4-N,4-N-dioxidobenzene-1,2,4-triamine

C10H12N4O4-2 — CID 163172164

IUPAC2-N,2-N-dihydroxy-1-N-(2-methylprop-2-enylideneamino)-4-N,4-N-dioxidobenzene-1,2,4-triamine
SMILESC=C(C)C=NNc1ccc(N([O-])[O-])cc1N(O)O
InChIInChI=1S/C10H12N4O4/c1-7(2)6-11-12-9-4-3-8(13(15)16)5-10(9)14(17)18/h3-6,12,17-18H,1H2,2H3/q-2
InChIKeyQDBWETUHGUVUOG-UHFFFAOYSA-N
MW252.23 g/mol
LogP2.05
Rot. Bonds5

About 2-N,2-N-dihydroxy-1-N-(2-methylprop-2-enylideneamino)-4-N,4-N-dioxidobenzene-1,2,4-triamine

2-N,2-N-dihydroxy-1-N-(2-methylprop-2-enylideneamino)-4-N,4-N-dioxidobenzene-1,2,4-triamine (PubChem CID 163172164) has the molecular formula C10H12N4O4-2 and a molecular weight of 252.23 g/mol. Its IUPAC name is 2-N,2-N-dihydroxy-1-N-(2-methylprop-2-enylideneamino)-4-N,4-N-dioxidobenzene-1,2,4-triamine.

Molecular Properties

Compound Name2-N,2-N-dihydroxy-1-N-(2-methylprop-2-enylideneamino)-4-N,4-N-dioxidobenzene-1,2,4-triamine
PubChem CID163172164
Molecular FormulaC10H12N4O4-2
Molecular Weight252.23 g/mol
Exact Mass252.09
IUPAC Name2-N,2-N-dihydroxy-1-N-(2-methylprop-2-enylideneamino)-4-N,4-N-dioxidobenzene-1,2,4-triamine
SMILESC=C(C)C=NNc1ccc(N([O-])[O-])cc1N(O)O
InChIInChI=1S/C10H12N4O4/c1-7(2)6-11-12-9-4-3-8(13(15)16)5-10(9)14(17)18/h3-6,12,17-18H,1H2,2H3/q-2
InChIKeyQDBWETUHGUVUOG-UHFFFAOYSA-N
XLogP2.05
TPSA117.45 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.23
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-N,2-N-dihydroxy-4-N,4-N-dioxido-1-N-[(2-prop-1-enylphenyl)methylideneamino]benzene-1,2,4-triamine
CID 163138273
1-N-[(2-ethylcyclohexen-1-yl)methylideneamino]-2-N,2-N-dihydroxy-4-N,4-N-dioxidobenzene-1,2,4-triamine
CID 163163694
(4E)-4-[[2-(dihydroxyamino)-4-(dioxidoamino)phenyl]hydrazinylidene]-1,1,1-trifluoro-2-(trifluoromethyl)pentan-2-ol
CID 20834114
1-N-[(5-bromonaphthalen-1-yl)methylideneamino]-2-N,2-N-dihydroxy-4-N,4-N-dioxidobenzene-1,2,4-triamine
CID 163149932
N-[2-(dihydroxyamino)-4-(dioxidoamino)anilino]-N'-(2-oxopropyl)ethanimidamide
CID 21157423
2-N,2-N-dihydroxy-1-N-[(E)-(8-methyl-2,3,6,7-tetrahydro-1H-azulen-5-ylidene)amino]-4-N,4-N-dioxidobenzene-1,2,4-triamine
CID 20831252
N-[2-(dihydroxyamino)-4-(dioxidoamino)phenyl]-3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanamide
CID 163154528
N-[2-(dihydroxyamino)-4-(dioxidoamino)phenyl]-2,2,2-trifluoroacetamide
CID 163147693
4-chloro-3-N,3-N-dihydroxy-1-N,1-N-dioxidobenzene-1,3-diamine
CID 163164042
N-[2-[(2Z)-2-[1-[4-[4-[(E)-N-[2,4-bis[hydroxy(oxido)amino]anilino]-C-methylcarbonimidoyl]phenyl]sulfanylphenyl]ethylidene]hydrazinyl]-5-[hydroxy(oxido)amino]phenyl]-N-oxidohydroxylamine
CID 135801134
[(1R,5R)-2-[[2,4-bis(dihydroxyamino)phenyl]hydrazinylidene]-5-methylcyclopentyl]methanol
CID 163167528
N-[5-acetamido-2-(dihydroxyamino)-4-(dioxidoamino)phenyl]acetamide
CID 163164522

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dihydroxy-1-N-(2-methylprop-2-enylideneamino)-4-N,4-N-dioxidobenzene-1,2,4-triamine?
The IUPAC name of 2-N,2-N-dihydroxy-1-N-(2-methylprop-2-enylideneamino)-4-N,4-N-dioxidobenzene-1,2,4-triamine (CID 163172164) is 2-N,2-N-dihydroxy-1-N-(2-methylprop-2-enylideneamino)-4-N,4-N-dioxidobenzene-1,2,4-triamine.
What is the SMILES notation for 2-N,2-N-dihydroxy-1-N-(2-methylprop-2-enylideneamino)-4-N,4-N-dioxidobenzene-1,2,4-triamine?
The canonical SMILES for 2-N,2-N-dihydroxy-1-N-(2-methylprop-2-enylideneamino)-4-N,4-N-dioxidobenzene-1,2,4-triamine is C=C(C)C=NNc1ccc(N([O-])[O-])cc1N(O)O.
What is the InChIKey of 2-N,2-N-dihydroxy-1-N-(2-methylprop-2-enylideneamino)-4-N,4-N-dioxidobenzene-1,2,4-triamine?
The InChIKey is QDBWETUHGUVUOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O4/c1-7(2)6-11-12-9-4-3-8(13(15)16)5-10(9)14(17)18/h3-6,12,17-18H,1H2,2H3/q-2.
What are the key properties of 2-N,2-N-dihydroxy-1-N-(2-methylprop-2-enylideneamino)-4-N,4-N-dioxidobenzene-1,2,4-triamine?
2-N,2-N-dihydroxy-1-N-(2-methylprop-2-enylideneamino)-4-N,4-N-dioxidobenzene-1,2,4-triamine has a molecular weight of 252.23 g/mol, XLogP of 2.05, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dihydroxy-1-N-(2-methylprop-2-enylideneamino)-4-N,4-N-dioxidobenzene-1,2,4-triamine is sourced from PubChem (CID 163172164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).