3-[(Z)-2-aminoethenyl]-2-methylimidazol-4-amine;ethane

C8H16N4 — CID 144655779

IUPAC3-[(Z)-2-aminoethenyl]-2-methylimidazol-4-amine;ethane
SMILESCC.Cc1ncc(N)n1/C=C\N
InChIInChI=1S/C6H10N4.C2H6/c1-5-9-4-6(8)10(5)3-2-7;1-2/h2-4H,7-8H2,1H3;1-2H3/b3-2-;
InChIKeyFKOQNEVCQNPKOD-OLGQORCHSA-N
MW168.24 g/mol
LogP1.19
Rot. Bonds1

About 3-[(Z)-2-aminoethenyl]-2-methylimidazol-4-amine;ethane

3-[(Z)-2-aminoethenyl]-2-methylimidazol-4-amine;ethane (PubChem CID 144655779) has the molecular formula C8H16N4 and a molecular weight of 168.24 g/mol. Its IUPAC name is 3-[(Z)-2-aminoethenyl]-2-methylimidazol-4-amine;ethane.

Molecular Properties

Compound Name3-[(Z)-2-aminoethenyl]-2-methylimidazol-4-amine;ethane
PubChem CID144655779
Molecular FormulaC8H16N4
Molecular Weight168.24 g/mol
Exact Mass168.14
IUPAC Name3-[(Z)-2-aminoethenyl]-2-methylimidazol-4-amine;ethane
SMILESCC.Cc1ncc(N)n1/C=C\N
InChIInChI=1S/C6H10N4.C2H6/c1-5-9-4-6(8)10(5)3-2-7;1-2/h2-4H,7-8H2,1H3;1-2H3/b3-2-;
InChIKeyFKOQNEVCQNPKOD-OLGQORCHSA-N
XLogP1.19
TPSA69.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-2-aminoethenyl]-2-methylimidazol-4-amine;ethane?
The IUPAC name of 3-[(Z)-2-aminoethenyl]-2-methylimidazol-4-amine;ethane (CID 144655779) is 3-[(Z)-2-aminoethenyl]-2-methylimidazol-4-amine;ethane.
What is the SMILES notation for 3-[(Z)-2-aminoethenyl]-2-methylimidazol-4-amine;ethane?
The canonical SMILES for 3-[(Z)-2-aminoethenyl]-2-methylimidazol-4-amine;ethane is CC.Cc1ncc(N)n1/C=C\N.
What is the InChIKey of 3-[(Z)-2-aminoethenyl]-2-methylimidazol-4-amine;ethane?
The InChIKey is FKOQNEVCQNPKOD-OLGQORCHSA-N. The full InChI is InChI=1S/C6H10N4.C2H6/c1-5-9-4-6(8)10(5)3-2-7;1-2/h2-4H,7-8H2,1H3;1-2H3/b3-2-;.
What are the key properties of 3-[(Z)-2-aminoethenyl]-2-methylimidazol-4-amine;ethane?
3-[(Z)-2-aminoethenyl]-2-methylimidazol-4-amine;ethane has a molecular weight of 168.24 g/mol, XLogP of 1.19, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-2-aminoethenyl]-2-methylimidazol-4-amine;ethane is sourced from PubChem (CID 144655779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).