4-N',5-N'-dihydroxy-1H-imidazole-4,5-dicarboximidamide

C5H8N6O2 — CID 139185503

IUPAC4-N',5-N'-dihydroxy-1H-imidazole-4,5-dicarboximidamide
SMILESN/C(=N\O)c1nc[nH]c1/C(N)=N/O
InChIInChI=1S/C5H8N6O2/c6-4(10-12)2-3(5(7)11-13)9-1-8-2/h1,12-13H,(H2,6,10)(H2,7,11)(H,8,9)
InChIKeyVDSWZHTZCWSYIN-UHFFFAOYSA-N
MW184.16 g/mol
LogP-1.40
Rot. Bonds2

About 4-N',5-N'-dihydroxy-1H-imidazole-4,5-dicarboximidamide

4-N',5-N'-dihydroxy-1H-imidazole-4,5-dicarboximidamide (PubChem CID 139185503) has the molecular formula C5H8N6O2 and a molecular weight of 184.16 g/mol. Its IUPAC name is 4-N',5-N'-dihydroxy-1H-imidazole-4,5-dicarboximidamide.

Molecular Properties

Compound Name4-N',5-N'-dihydroxy-1H-imidazole-4,5-dicarboximidamide
PubChem CID139185503
Molecular FormulaC5H8N6O2
Molecular Weight184.16 g/mol
Exact Mass184.07
IUPAC Name4-N',5-N'-dihydroxy-1H-imidazole-4,5-dicarboximidamide
SMILESN/C(=N\O)c1nc[nH]c1/C(N)=N/O
InChIInChI=1S/C5H8N6O2/c6-4(10-12)2-3(5(7)11-13)9-1-8-2/h1,12-13H,(H2,6,10)(H2,7,11)(H,8,9)
InChIKeyVDSWZHTZCWSYIN-UHFFFAOYSA-N
XLogP-1.40
TPSA145.90 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.16
LogP ≤ 5-1.40
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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

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CID 135398661
6-Mercaptopurine 3-oxide
CID 3032298
Adenine, 1-oxide
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(NZ)-N-[(5-methyl-1H-imidazol-4-yl)-nitromethylidene]hydroxylamine
CID 135816694
6-ethylimino-1H-imidazo[4,5-e][1,3]diazepine-4,8-diamine
CID 135939021
N97WY37LC4
CID 135502175
N-Hydroxyadenine 3-oxide
CID 135611800
3-Methyl-3,9-dihydro-2H-purin-6-ylamine
CID 6397536
1-(5-methyl-1H-imidazol-4-yl)methanamine hydrochloride
CID 56773750
1,3,6,7-Tetrahydro-6-thioxo-2H-purin-2-one oxime
CID 3036492
Di-hydroadenine
CID 135462629
4-Aminoimidazole-5-carboxamidine
CID 136203115

Frequently Asked Questions

What is the IUPAC name of 4-N',5-N'-dihydroxy-1H-imidazole-4,5-dicarboximidamide?
The IUPAC name of 4-N',5-N'-dihydroxy-1H-imidazole-4,5-dicarboximidamide (CID 139185503) is 4-N',5-N'-dihydroxy-1H-imidazole-4,5-dicarboximidamide.
What is the SMILES notation for 4-N',5-N'-dihydroxy-1H-imidazole-4,5-dicarboximidamide?
The canonical SMILES for 4-N',5-N'-dihydroxy-1H-imidazole-4,5-dicarboximidamide is N/C(=N\O)c1nc[nH]c1/C(N)=N/O.
What is the InChIKey of 4-N',5-N'-dihydroxy-1H-imidazole-4,5-dicarboximidamide?
The InChIKey is VDSWZHTZCWSYIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N6O2/c6-4(10-12)2-3(5(7)11-13)9-1-8-2/h1,12-13H,(H2,6,10)(H2,7,11)(H,8,9).
What are the key properties of 4-N',5-N'-dihydroxy-1H-imidazole-4,5-dicarboximidamide?
4-N',5-N'-dihydroxy-1H-imidazole-4,5-dicarboximidamide has a molecular weight of 184.16 g/mol, XLogP of -1.40, 2 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N',5-N'-dihydroxy-1H-imidazole-4,5-dicarboximidamide is sourced from PubChem (CID 139185503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).