N-(1-aminoimidazol-4-yl)formamide

C4H6N4O — CID 174485647

IUPACN-(1-aminoimidazol-4-yl)formamide
SMILESNn1cnc(NC=O)c1
InChIInChI=1S/C4H6N4O/c5-8-1-4(6-2-8)7-3-9/h1-3H,5H2,(H,7,9)
InChIKeyJMGXEUZTBDXCRZ-UHFFFAOYSA-N
MW126.12 g/mol
LogP-0.83
Rot. Bonds2

About N-(1-aminoimidazol-4-yl)formamide

N-(1-aminoimidazol-4-yl)formamide (PubChem CID 174485647) has the molecular formula C4H6N4O and a molecular weight of 126.12 g/mol. Its IUPAC name is N-(1-aminoimidazol-4-yl)formamide.

Molecular Properties

Compound NameN-(1-aminoimidazol-4-yl)formamide
PubChem CID174485647
Molecular FormulaC4H6N4O
Molecular Weight126.12 g/mol
Exact Mass126.05
IUPAC NameN-(1-aminoimidazol-4-yl)formamide
SMILESNn1cnc(NC=O)c1
InChIInChI=1S/C4H6N4O/c5-8-1-4(6-2-8)7-3-9/h1-3H,5H2,(H,7,9)
InChIKeyJMGXEUZTBDXCRZ-UHFFFAOYSA-N
XLogP-0.83
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.12
LogP ≤ 5-0.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-aminoimidazol-4-yl)formamide?
The IUPAC name of N-(1-aminoimidazol-4-yl)formamide (CID 174485647) is N-(1-aminoimidazol-4-yl)formamide.
What is the SMILES notation for N-(1-aminoimidazol-4-yl)formamide?
The canonical SMILES for N-(1-aminoimidazol-4-yl)formamide is Nn1cnc(NC=O)c1.
What is the InChIKey of N-(1-aminoimidazol-4-yl)formamide?
The InChIKey is JMGXEUZTBDXCRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N4O/c5-8-1-4(6-2-8)7-3-9/h1-3H,5H2,(H,7,9).
What are the key properties of N-(1-aminoimidazol-4-yl)formamide?
N-(1-aminoimidazol-4-yl)formamide has a molecular weight of 126.12 g/mol, XLogP of -0.83, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminoimidazol-4-yl)formamide is sourced from PubChem (CID 174485647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).