N'-hydroxy-4-(methylamino)-1,2,5-oxadiazole-3-carboximidamide

C4H7N5O2 — CID 142416542

IUPACN'-hydroxy-4-(methylamino)-1,2,5-oxadiazole-3-carboximidamide
SMILESCNc1nonc1/C(N)=N/O
InChIInChI=1S/C4H7N5O2/c1-6-4-2(3(5)7-10)8-11-9-4/h10H,1H3,(H2,5,7)(H,6,9)
InChIKeyUQOHNPBIYPEPPW-UHFFFAOYSA-N
MW157.13 g/mol
LogP-0.79
Rot. Bonds2

About N'-hydroxy-4-(methylamino)-1,2,5-oxadiazole-3-carboximidamide

N'-hydroxy-4-(methylamino)-1,2,5-oxadiazole-3-carboximidamide (PubChem CID 142416542) has the molecular formula C4H7N5O2 and a molecular weight of 157.13 g/mol. Its IUPAC name is N'-hydroxy-4-(methylamino)-1,2,5-oxadiazole-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-(methylamino)-1,2,5-oxadiazole-3-carboximidamide
PubChem CID142416542
Molecular FormulaC4H7N5O2
Molecular Weight157.13 g/mol
Exact Mass157.06
IUPAC NameN'-hydroxy-4-(methylamino)-1,2,5-oxadiazole-3-carboximidamide
SMILESCNc1nonc1/C(N)=N/O
InChIInChI=1S/C4H7N5O2/c1-6-4-2(3(5)7-10)8-11-9-4/h10H,1H3,(H2,5,7)(H,6,9)
InChIKeyUQOHNPBIYPEPPW-UHFFFAOYSA-N
XLogP-0.79
TPSA109.56 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.13
LogP ≤ 5-0.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-hydroxy-4-(3-methylsulfinylpropylamino)-1,2,5-oxadiazole-3-carboximidamide
CID 142416532
4-(3-aminosulfanylpropylamino)-N'-hydroxy-1,2,5-oxadiazole-3-carboximidamide
CID 142416522
4-amino-N'-hydroxy-1,2,5-oxadiazole-3-carboximidamide;hydrate
CID 137272272
N'-hydroxy-4-[(1-methylpiperidin-4-yl)methylamino]-1,2,5-oxadiazole-3-carboximidamide
CID 137047037
ethane;N'-hydroxy-4-[[(2S)-2-sulfinamoyloxypropyl]amino]-1,2,5-oxadiazole-3-carboximidamide
CID 142298399
N'-hydroxy-4-[[1-(methylsulfonimidoyl)piperidin-4-yl]amino]-1,2,5-oxadiazole-3-carboximidamide
CID 166835400
N'-hydroxy-4-[(methylsulfamoylamino)methyl]-1,2,5-oxadiazole-3-carboximidamide
CID 140518115
N-ethyl-2-[[4-[(Z)-N'-hydroxycarbamimidoyl]-1,2,5-oxadiazol-3-yl]sulfanyl]acetamide
CID 142298378
N'-hydroxy-4-[[4-(piperazin-1-ylmethyl)phenyl]methylamino]-1,2,5-oxadiazole-3-carboximidamide
CID 140510666
2-amino-3-[[4-[(Z)-N'-hydroxycarbamimidoyl]-1,2,5-oxadiazol-3-yl]sulfanyl]propanamide
CID 137296270
2-[[4-(N'-hydroxycarbamimidoyl)-1,2,5-oxadiazol-3-yl]sulfanyl]-N-(2-hydroxyethyl)acetamide
CID 154004264
4-amino-N'-hydroxy-1,2,5-oxadiazole-3-carboximidamide;2,3-dihydro-1H-indene
CID 142298336

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-(methylamino)-1,2,5-oxadiazole-3-carboximidamide?
The IUPAC name of N'-hydroxy-4-(methylamino)-1,2,5-oxadiazole-3-carboximidamide (CID 142416542) is N'-hydroxy-4-(methylamino)-1,2,5-oxadiazole-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-4-(methylamino)-1,2,5-oxadiazole-3-carboximidamide?
The canonical SMILES for N'-hydroxy-4-(methylamino)-1,2,5-oxadiazole-3-carboximidamide is CNc1nonc1/C(N)=N/O.
What is the InChIKey of N'-hydroxy-4-(methylamino)-1,2,5-oxadiazole-3-carboximidamide?
The InChIKey is UQOHNPBIYPEPPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N5O2/c1-6-4-2(3(5)7-10)8-11-9-4/h10H,1H3,(H2,5,7)(H,6,9).
What are the key properties of N'-hydroxy-4-(methylamino)-1,2,5-oxadiazole-3-carboximidamide?
N'-hydroxy-4-(methylamino)-1,2,5-oxadiazole-3-carboximidamide has a molecular weight of 157.13 g/mol, XLogP of -0.79, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-(methylamino)-1,2,5-oxadiazole-3-carboximidamide is sourced from PubChem (CID 142416542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).