N-(4-amino-6-diazenyl-1,3,5-triazin-2-yl)formamide

C4H5N7O — CID 22648559

IUPACN-(4-amino-6-diazenyl-1,3,5-triazin-2-yl)formamide
SMILES[H]/N=N/c1nc(N)nc(NC=O)n1
InChIInChI=1S/C4H5N7O/c5-2-8-3(7-1-12)10-4(9-2)11-6/h1,6H,(H3,5,7,8,9,10,12)/b11-6+
InChIKeyRLTHJSHLFJZTFJ-IZZDOVSWSA-N
MW167.13 g/mol
LogP-0.32
Rot. Bonds3

About N-(4-amino-6-diazenyl-1,3,5-triazin-2-yl)formamide

N-(4-amino-6-diazenyl-1,3,5-triazin-2-yl)formamide (PubChem CID 22648559) has the molecular formula C4H5N7O and a molecular weight of 167.13 g/mol. Its IUPAC name is N-(4-amino-6-diazenyl-1,3,5-triazin-2-yl)formamide.

Molecular Properties

Compound NameN-(4-amino-6-diazenyl-1,3,5-triazin-2-yl)formamide
PubChem CID22648559
Molecular FormulaC4H5N7O
Molecular Weight167.13 g/mol
Exact Mass167.06
IUPAC NameN-(4-amino-6-diazenyl-1,3,5-triazin-2-yl)formamide
SMILES[H]/N=N/c1nc(N)nc(NC=O)n1
InChIInChI=1S/C4H5N7O/c5-2-8-3(7-1-12)10-4(9-2)11-6/h1,6H,(H3,5,7,8,9,10,12)/b11-6+
InChIKeyRLTHJSHLFJZTFJ-IZZDOVSWSA-N
XLogP-0.32
TPSA130.00 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.13
LogP ≤ 5-0.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze N-(4-amino-6-diazenyl-1,3,5-triazin-2-yl)formamide 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-amino-6-diazenyl-1,3,5-triazin-2-yl)formamide?
The IUPAC name of N-(4-amino-6-diazenyl-1,3,5-triazin-2-yl)formamide (CID 22648559) is N-(4-amino-6-diazenyl-1,3,5-triazin-2-yl)formamide.
What is the SMILES notation for N-(4-amino-6-diazenyl-1,3,5-triazin-2-yl)formamide?
The canonical SMILES for N-(4-amino-6-diazenyl-1,3,5-triazin-2-yl)formamide is [H]/N=N/c1nc(N)nc(NC=O)n1.
What is the InChIKey of N-(4-amino-6-diazenyl-1,3,5-triazin-2-yl)formamide?
The InChIKey is RLTHJSHLFJZTFJ-IZZDOVSWSA-N. The full InChI is InChI=1S/C4H5N7O/c5-2-8-3(7-1-12)10-4(9-2)11-6/h1,6H,(H3,5,7,8,9,10,12)/b11-6+.
What are the key properties of N-(4-amino-6-diazenyl-1,3,5-triazin-2-yl)formamide?
N-(4-amino-6-diazenyl-1,3,5-triazin-2-yl)formamide has a molecular weight of 167.13 g/mol, XLogP of -0.32, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-6-diazenyl-1,3,5-triazin-2-yl)formamide is sourced from PubChem (CID 22648559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).