N',4-diamino-1H-imidazole-5-carboximidamide

C4H8N6 — CID 139592585

IUPACN',4-diamino-1H-imidazole-5-carboximidamide
SMILESNN=C(N)c1[nH]cnc1N
InChIInChI=1S/C4H8N6/c5-3-2(4(6)10-7)8-1-9-3/h1H,5,7H2,(H2,6,10)(H,8,9)
InChIKeyKXVOBKZMBRUXGJ-UHFFFAOYSA-N
MW140.15 g/mol
LogP-1.43
Rot. Bonds1

About N',4-diamino-1H-imidazole-5-carboximidamide

N',4-diamino-1H-imidazole-5-carboximidamide (PubChem CID 139592585) has the molecular formula C4H8N6 and a molecular weight of 140.15 g/mol. Its IUPAC name is N',4-diamino-1H-imidazole-5-carboximidamide.

Molecular Properties

Compound NameN',4-diamino-1H-imidazole-5-carboximidamide
PubChem CID139592585
Molecular FormulaC4H8N6
Molecular Weight140.15 g/mol
Exact Mass140.08
IUPAC NameN',4-diamino-1H-imidazole-5-carboximidamide
SMILESNN=C(N)c1[nH]cnc1N
InChIInChI=1S/C4H8N6/c5-3-2(4(6)10-7)8-1-9-3/h1H,5,7H2,(H2,6,10)(H,8,9)
InChIKeyKXVOBKZMBRUXGJ-UHFFFAOYSA-N
XLogP-1.43
TPSA119.10 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.15
LogP ≤ 5-1.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N',4-diamino-1H-imidazole-5-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N',4-diamino-1H-imidazole-5-carboximidamide?
The IUPAC name of N',4-diamino-1H-imidazole-5-carboximidamide (CID 139592585) is N',4-diamino-1H-imidazole-5-carboximidamide.
What is the SMILES notation for N',4-diamino-1H-imidazole-5-carboximidamide?
The canonical SMILES for N',4-diamino-1H-imidazole-5-carboximidamide is NN=C(N)c1[nH]cnc1N.
What is the InChIKey of N',4-diamino-1H-imidazole-5-carboximidamide?
The InChIKey is KXVOBKZMBRUXGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N6/c5-3-2(4(6)10-7)8-1-9-3/h1H,5,7H2,(H2,6,10)(H,8,9).
What are the key properties of N',4-diamino-1H-imidazole-5-carboximidamide?
N',4-diamino-1H-imidazole-5-carboximidamide has a molecular weight of 140.15 g/mol, XLogP of -1.43, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',4-diamino-1H-imidazole-5-carboximidamide is sourced from PubChem (CID 139592585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).