1,5-diaminoimidazole-4-carboximidoyl cyanide

C5H6N6 — CID 136702915

IUPAC1,5-diaminoimidazole-4-carboximidoyl cyanide
SMILES[H]/N=C(\C#N)c1ncn(N)c1N
InChIInChI=1S/C5H6N6/c6-1-3(7)4-5(8)11(9)2-10-4/h2,7H,8-9H2/b7-3+
InChIKeyPOFGDDYXLPRCEM-XVNBXDOJSA-N
MW150.14 g/mol
LogP-0.93
Rot. Bonds1

About 1,5-diaminoimidazole-4-carboximidoyl cyanide

1,5-diaminoimidazole-4-carboximidoyl cyanide (PubChem CID 136702915) has the molecular formula C5H6N6 and a molecular weight of 150.14 g/mol. Its IUPAC name is 1,5-diaminoimidazole-4-carboximidoyl cyanide.

Molecular Properties

Compound Name1,5-diaminoimidazole-4-carboximidoyl cyanide
PubChem CID136702915
Molecular FormulaC5H6N6
Molecular Weight150.14 g/mol
Exact Mass150.07
IUPAC Name1,5-diaminoimidazole-4-carboximidoyl cyanide
SMILES[H]/N=C(\C#N)c1ncn(N)c1N
InChIInChI=1S/C5H6N6/c6-1-3(7)4-5(8)11(9)2-10-4/h2,7H,8-9H2/b7-3+
InChIKeyPOFGDDYXLPRCEM-XVNBXDOJSA-N
XLogP-0.93
TPSA117.50 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.14
LogP ≤ 5-0.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,5-diaminoimidazole-4-carboximidoyl cyanide?
The IUPAC name of 1,5-diaminoimidazole-4-carboximidoyl cyanide (CID 136702915) is 1,5-diaminoimidazole-4-carboximidoyl cyanide.
What is the SMILES notation for 1,5-diaminoimidazole-4-carboximidoyl cyanide?
The canonical SMILES for 1,5-diaminoimidazole-4-carboximidoyl cyanide is [H]/N=C(\C#N)c1ncn(N)c1N.
What is the InChIKey of 1,5-diaminoimidazole-4-carboximidoyl cyanide?
The InChIKey is POFGDDYXLPRCEM-XVNBXDOJSA-N. The full InChI is InChI=1S/C5H6N6/c6-1-3(7)4-5(8)11(9)2-10-4/h2,7H,8-9H2/b7-3+.
What are the key properties of 1,5-diaminoimidazole-4-carboximidoyl cyanide?
1,5-diaminoimidazole-4-carboximidoyl cyanide has a molecular weight of 150.14 g/mol, XLogP of -0.93, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-diaminoimidazole-4-carboximidoyl cyanide is sourced from PubChem (CID 136702915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).