1H-imidazole-2-carboximidoyl cyanide

C5H4N4 — CID 142453950

IUPAC1H-imidazole-2-carboximidoyl cyanide
SMILES[H]/N=C(\C#N)c1ncc[nH]1
InChIInChI=1S/C5H4N4/c6-3-4(7)5-8-1-2-9-5/h1-2,7H,(H,8,9)/b7-4+
InChIKeyTVVDOFJZVGDSBC-QPJJXVBHSA-N
MW120.11 g/mol
LogP0.30
Rot. Bonds1

About 1H-imidazole-2-carboximidoyl cyanide

1H-imidazole-2-carboximidoyl cyanide (PubChem CID 142453950) has the molecular formula C5H4N4 and a molecular weight of 120.11 g/mol. Its IUPAC name is 1H-imidazole-2-carboximidoyl cyanide.

Molecular Properties

Compound Name1H-imidazole-2-carboximidoyl cyanide
PubChem CID142453950
Molecular FormulaC5H4N4
Molecular Weight120.11 g/mol
Exact Mass120.04
IUPAC Name1H-imidazole-2-carboximidoyl cyanide
SMILES[H]/N=C(\C#N)c1ncc[nH]1
InChIInChI=1S/C5H4N4/c6-3-4(7)5-8-1-2-9-5/h1-2,7H,(H,8,9)/b7-4+
InChIKeyTVVDOFJZVGDSBC-QPJJXVBHSA-N
XLogP0.30
TPSA76.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.11
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(1H-imidazol-2-yl)-2-iminoethyl]benzonitrile
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CID 137084820
bis(1H-imidazol-2-yl)methanethione
CID 11412697
1H-imidazole-2-carbothioamide
CID 18521648
2-[(Z)-but-2-en-2-yl]-1H-imidazole
CID 169206426
azane;cobalt;1H-imidazole-2-carboxylic acid
CID 175883152
4-[(E)-dimethylaminomethylideneamino]-1H-imidazole-5-carboximidoyl cyanide
CID 135745789
3-(1H-imidazol-2-yl)-2-methylbut-2-enal
CID 140612646
1,5-diaminoimidazole-4-carboximidoyl cyanide
CID 136702915
bis(1H-imidazol-2-yl)methanone;oxalyl dichloride
CID 19366628
N-[1H-imidazol-2-yl(nitro)methylidene]hydroxylamine
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CID 135477872

Frequently Asked Questions

What is the IUPAC name of 1H-imidazole-2-carboximidoyl cyanide?
The IUPAC name of 1H-imidazole-2-carboximidoyl cyanide (CID 142453950) is 1H-imidazole-2-carboximidoyl cyanide.
What is the SMILES notation for 1H-imidazole-2-carboximidoyl cyanide?
The canonical SMILES for 1H-imidazole-2-carboximidoyl cyanide is [H]/N=C(\C#N)c1ncc[nH]1.
What is the InChIKey of 1H-imidazole-2-carboximidoyl cyanide?
The InChIKey is TVVDOFJZVGDSBC-QPJJXVBHSA-N. The full InChI is InChI=1S/C5H4N4/c6-3-4(7)5-8-1-2-9-5/h1-2,7H,(H,8,9)/b7-4+.
What are the key properties of 1H-imidazole-2-carboximidoyl cyanide?
1H-imidazole-2-carboximidoyl cyanide has a molecular weight of 120.11 g/mol, XLogP of 0.30, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazole-2-carboximidoyl cyanide is sourced from PubChem (CID 142453950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).