4,5-bis(ethenyl)imidazol-1-amine

C7H9N3 — CID 126486900

IUPAC4,5-bis(ethenyl)imidazol-1-amine
SMILESC=Cc1ncn(N)c1C=C
InChIInChI=1S/C7H9N3/c1-3-6-7(4-2)10(8)5-9-6/h3-5H,1-2,8H2
InChIKeyKHRIBEOCBFUOFU-UHFFFAOYSA-N
MW135.17 g/mol
LogP0.88
Rot. Bonds2

About 4,5-bis(ethenyl)imidazol-1-amine

4,5-bis(ethenyl)imidazol-1-amine (PubChem CID 126486900) has the molecular formula C7H9N3 and a molecular weight of 135.17 g/mol. Its IUPAC name is 4,5-bis(ethenyl)imidazol-1-amine.

Molecular Properties

Compound Name4,5-bis(ethenyl)imidazol-1-amine
PubChem CID126486900
Molecular FormulaC7H9N3
Molecular Weight135.17 g/mol
Exact Mass135.08
IUPAC Name4,5-bis(ethenyl)imidazol-1-amine
SMILESC=Cc1ncn(N)c1C=C
InChIInChI=1S/C7H9N3/c1-3-6-7(4-2)10(8)5-9-6/h3-5H,1-2,8H2
InChIKeyKHRIBEOCBFUOFU-UHFFFAOYSA-N
XLogP0.88
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-bis(ethenyl)imidazol-1-amine?
The IUPAC name of 4,5-bis(ethenyl)imidazol-1-amine (CID 126486900) is 4,5-bis(ethenyl)imidazol-1-amine.
What is the SMILES notation for 4,5-bis(ethenyl)imidazol-1-amine?
The canonical SMILES for 4,5-bis(ethenyl)imidazol-1-amine is C=Cc1ncn(N)c1C=C.
What is the InChIKey of 4,5-bis(ethenyl)imidazol-1-amine?
The InChIKey is KHRIBEOCBFUOFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3/c1-3-6-7(4-2)10(8)5-9-6/h3-5H,1-2,8H2.
What are the key properties of 4,5-bis(ethenyl)imidazol-1-amine?
4,5-bis(ethenyl)imidazol-1-amine has a molecular weight of 135.17 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(ethenyl)imidazol-1-amine is sourced from PubChem (CID 126486900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).