1H-pyrrolo[2,3-d]imidazol-5-imine

C5H4N4 — CID 141120776

IUPAC1H-pyrrolo[2,3-d]imidazol-5-imine
SMILES[H]/N=C1/C=c2[nH]cnc2=N1
InChIInChI=1S/C5H4N4/c6-4-1-3-5(9-4)8-2-7-3/h1-2H,(H2,6,7,8,9)
InChIKeyDCBPXKUEPACHAY-UHFFFAOYSA-N
MW120.11 g/mol
LogP-1.20
Rot. Bonds

About 1H-pyrrolo[2,3-d]imidazol-5-imine

1H-pyrrolo[2,3-d]imidazol-5-imine (PubChem CID 141120776) has the molecular formula C5H4N4 and a molecular weight of 120.11 g/mol. Its IUPAC name is 1H-pyrrolo[2,3-d]imidazol-5-imine.

Molecular Properties

Compound Name1H-pyrrolo[2,3-d]imidazol-5-imine
PubChem CID141120776
Molecular FormulaC5H4N4
Molecular Weight120.11 g/mol
Exact Mass120.04
IUPAC Name1H-pyrrolo[2,3-d]imidazol-5-imine
SMILES[H]/N=C1/C=c2[nH]cnc2=N1
InChIInChI=1S/C5H4N4/c6-4-1-3-5(9-4)8-2-7-3/h1-2H,(H2,6,7,8,9)
InChIKeyDCBPXKUEPACHAY-UHFFFAOYSA-N
XLogP-1.20
TPSA64.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.11
LogP ≤ 5-1.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 1H-pyrrolo[2,3-d]imidazol-5-imine?
The IUPAC name of 1H-pyrrolo[2,3-d]imidazol-5-imine (CID 141120776) is 1H-pyrrolo[2,3-d]imidazol-5-imine.
What is the SMILES notation for 1H-pyrrolo[2,3-d]imidazol-5-imine?
The canonical SMILES for 1H-pyrrolo[2,3-d]imidazol-5-imine is [H]/N=C1/C=c2[nH]cnc2=N1.
What is the InChIKey of 1H-pyrrolo[2,3-d]imidazol-5-imine?
The InChIKey is DCBPXKUEPACHAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N4/c6-4-1-3-5(9-4)8-2-7-3/h1-2H,(H2,6,7,8,9).
What are the key properties of 1H-pyrrolo[2,3-d]imidazol-5-imine?
1H-pyrrolo[2,3-d]imidazol-5-imine has a molecular weight of 120.11 g/mol, XLogP of -1.20, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrrolo[2,3-d]imidazol-5-imine is sourced from PubChem (CID 141120776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).