4-cyano-N'-hydroxy-1H-imidazole-5-carboximidamide

C5H5N5O — CID 135542017

IUPAC4-cyano-N'-hydroxy-1H-imidazole-5-carboximidamide
SMILESN#Cc1nc[nH]c1/C(N)=N/O
InChIInChI=1S/C5H5N5O/c6-1-3-4(5(7)10-11)9-2-8-3/h2,11H,(H2,7,10)(H,8,9)
InChIKeyFSKJLYPTVZULHJ-UHFFFAOYSA-N
MW151.13 g/mol
LogP-0.62
Rot. Bonds1

About 4-cyano-N'-hydroxy-1H-imidazole-5-carboximidamide

4-cyano-N'-hydroxy-1H-imidazole-5-carboximidamide (PubChem CID 135542017) has the molecular formula C5H5N5O and a molecular weight of 151.13 g/mol. Its IUPAC name is 4-cyano-N'-hydroxy-1H-imidazole-5-carboximidamide.

Molecular Properties

Compound Name4-cyano-N'-hydroxy-1H-imidazole-5-carboximidamide
PubChem CID135542017
Molecular FormulaC5H5N5O
Molecular Weight151.13 g/mol
Exact Mass151.05
IUPAC Name4-cyano-N'-hydroxy-1H-imidazole-5-carboximidamide
SMILESN#Cc1nc[nH]c1/C(N)=N/O
InChIInChI=1S/C5H5N5O/c6-1-3-4(5(7)10-11)9-2-8-3/h2,11H,(H2,7,10)(H,8,9)
InChIKeyFSKJLYPTVZULHJ-UHFFFAOYSA-N
XLogP-0.62
TPSA111.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.13
LogP ≤ 5-0.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

4,5-Dicyanoimidazole
CID 70729
5-amino-1H-imidazole-4-carbonitrile
CID 78777
Adenine, 1-oxide
CID 135407691
(NZ)-N-[(5-methyl-1H-imidazol-4-yl)-nitromethylidene]hydroxylamine
CID 135816694
N-Hydroxyadenine 3-oxide
CID 135611800
5-isocyano-1H-imidazole-4-carbonitrile
CID 23561826
4-Aminoimidazole-5-carboxamidine
CID 136203115
4-Aminoimidazole-5-carboxamidoxime
CID 146054
5-Aminoimidazole-4-carboxamidoxime
CID 135556880
5-cyano-N'-hydroxy-1-methyl-1H-imidazole-4-carboximidamide
CID 16088493
N-(5-cyano-1h-imidazol-4-yl)formamidine
CID 129846866
6-Amino-2-chloro-1H-purin-1-ol
CID 136220683

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N'-hydroxy-1H-imidazole-5-carboximidamide?
The IUPAC name of 4-cyano-N'-hydroxy-1H-imidazole-5-carboximidamide (CID 135542017) is 4-cyano-N'-hydroxy-1H-imidazole-5-carboximidamide.
What is the SMILES notation for 4-cyano-N'-hydroxy-1H-imidazole-5-carboximidamide?
The canonical SMILES for 4-cyano-N'-hydroxy-1H-imidazole-5-carboximidamide is N#Cc1nc[nH]c1/C(N)=N/O.
What is the InChIKey of 4-cyano-N'-hydroxy-1H-imidazole-5-carboximidamide?
The InChIKey is FSKJLYPTVZULHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N5O/c6-1-3-4(5(7)10-11)9-2-8-3/h2,11H,(H2,7,10)(H,8,9).
What are the key properties of 4-cyano-N'-hydroxy-1H-imidazole-5-carboximidamide?
4-cyano-N'-hydroxy-1H-imidazole-5-carboximidamide has a molecular weight of 151.13 g/mol, XLogP of -0.62, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N'-hydroxy-1H-imidazole-5-carboximidamide is sourced from PubChem (CID 135542017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).