4-(aminodiazenyl)-5-methyl-1H-imidazole-2-carboxamide

C5H8N6O — CID 137183576

IUPAC4-(aminodiazenyl)-5-methyl-1H-imidazole-2-carboxamide
SMILESCc1[nH]c(C(N)=O)nc1N=NN
InChIInChI=1S/C5H8N6O/c1-2-4(10-11-7)9-5(8-2)3(6)12/h1H3,(H2,6,12)(H2,7,10)(H,8,9)
InChIKeyVUVXVWLWLXRUAD-UHFFFAOYSA-N
MW168.16 g/mol
LogP-0.23
Rot. Bonds2

About 4-(aminodiazenyl)-5-methyl-1H-imidazole-2-carboxamide

4-(aminodiazenyl)-5-methyl-1H-imidazole-2-carboxamide (PubChem CID 137183576) has the molecular formula C5H8N6O and a molecular weight of 168.16 g/mol. Its IUPAC name is 4-(aminodiazenyl)-5-methyl-1H-imidazole-2-carboxamide.

Molecular Properties

Compound Name4-(aminodiazenyl)-5-methyl-1H-imidazole-2-carboxamide
PubChem CID137183576
Molecular FormulaC5H8N6O
Molecular Weight168.16 g/mol
Exact Mass168.08
IUPAC Name4-(aminodiazenyl)-5-methyl-1H-imidazole-2-carboxamide
SMILESCc1[nH]c(C(N)=O)nc1N=NN
InChIInChI=1S/C5H8N6O/c1-2-4(10-11-7)9-5(8-2)3(6)12/h1H3,(H2,6,12)(H2,7,10)(H,8,9)
InChIKeyVUVXVWLWLXRUAD-UHFFFAOYSA-N
XLogP-0.23
TPSA122.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.16
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4,5-dimethyl-1H-imidazole-2-carbaldehyde
CID 12657117
5-amino-2-methyl-1H-imidazole-4-carboxamide
CID 283576
4-[(E)-dimethylaminodiazenyl]-2-propyl-1H-imidazole-5-carboxamide
CID 135478899
4-[(E)-dimethylaminodiazenyl]-2-methyl-1H-imidazole-5-carboxamide
CID 135545708
N-(4,5-dimethyl-1H-imidazol-2-yl)acetamide
CID 10012109
4,5-Dimethyl-1H-imidazole-2-carboxamide
CID 45084072
N-(2,4-dicyano-1H-imidazol-5-yl)acetamide
CID 385944
5-methyl-4-(trifluoromethyl)-1H-imidazole-2-carboxamide
CID 141335304
4-(dimethylaminodiazenyl)-2-propyl-1H-imidazole-5-carboxamide
CID 278325
4-(dimethylaminodiazenyl)-2-methyl-1H-imidazole-5-carboxamide
CID 284568
1-[4-(fluoromethyl)-5-methyl-1H-imidazol-2-yl]ethanone
CID 84763703
1-[4-(difluoromethyl)-5-methyl-1H-imidazol-2-yl]ethanone
CID 84766591

Frequently Asked Questions

What is the IUPAC name of 4-(aminodiazenyl)-5-methyl-1H-imidazole-2-carboxamide?
The IUPAC name of 4-(aminodiazenyl)-5-methyl-1H-imidazole-2-carboxamide (CID 137183576) is 4-(aminodiazenyl)-5-methyl-1H-imidazole-2-carboxamide.
What is the SMILES notation for 4-(aminodiazenyl)-5-methyl-1H-imidazole-2-carboxamide?
The canonical SMILES for 4-(aminodiazenyl)-5-methyl-1H-imidazole-2-carboxamide is Cc1[nH]c(C(N)=O)nc1N=NN.
What is the InChIKey of 4-(aminodiazenyl)-5-methyl-1H-imidazole-2-carboxamide?
The InChIKey is VUVXVWLWLXRUAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N6O/c1-2-4(10-11-7)9-5(8-2)3(6)12/h1H3,(H2,6,12)(H2,7,10)(H,8,9).
What are the key properties of 4-(aminodiazenyl)-5-methyl-1H-imidazole-2-carboxamide?
4-(aminodiazenyl)-5-methyl-1H-imidazole-2-carboxamide has a molecular weight of 168.16 g/mol, XLogP of -0.23, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminodiazenyl)-5-methyl-1H-imidazole-2-carboxamide is sourced from PubChem (CID 137183576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).