5-[(1Z)-buta-1,3-dienyl]-1-methylimidazol-4-amine

C8H11N3 — CID 118249493

IUPAC5-[(1Z)-buta-1,3-dienyl]-1-methylimidazol-4-amine
SMILESC=C/C=C\c1c(N)ncn1C
InChIInChI=1S/C8H11N3/c1-3-4-5-7-8(9)10-6-11(7)2/h3-6H,1,9H2,2H3/b5-4-
InChIKeyQHLHMQSBSJNIEU-PLNGDYQASA-N
MW149.20 g/mol
LogP1.20
Rot. Bonds2

About 5-[(1Z)-buta-1,3-dienyl]-1-methylimidazol-4-amine

5-[(1Z)-buta-1,3-dienyl]-1-methylimidazol-4-amine (PubChem CID 118249493) has the molecular formula C8H11N3 and a molecular weight of 149.20 g/mol. Its IUPAC name is 5-[(1Z)-buta-1,3-dienyl]-1-methylimidazol-4-amine.

Molecular Properties

Compound Name5-[(1Z)-buta-1,3-dienyl]-1-methylimidazol-4-amine
PubChem CID118249493
Molecular FormulaC8H11N3
Molecular Weight149.20 g/mol
Exact Mass149.10
IUPAC Name5-[(1Z)-buta-1,3-dienyl]-1-methylimidazol-4-amine
SMILESC=C/C=C\c1c(N)ncn1C
InChIInChI=1S/C8H11N3/c1-3-4-5-7-8(9)10-6-11(7)2/h3-6H,1,9H2,2H3/b5-4-
InChIKeyQHLHMQSBSJNIEU-PLNGDYQASA-N
XLogP1.20
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.20
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(1Z)-buta-1,3-dienyl]-1-methylimidazol-4-amine?
The IUPAC name of 5-[(1Z)-buta-1,3-dienyl]-1-methylimidazol-4-amine (CID 118249493) is 5-[(1Z)-buta-1,3-dienyl]-1-methylimidazol-4-amine.
What is the SMILES notation for 5-[(1Z)-buta-1,3-dienyl]-1-methylimidazol-4-amine?
The canonical SMILES for 5-[(1Z)-buta-1,3-dienyl]-1-methylimidazol-4-amine is C=C/C=C\c1c(N)ncn1C.
What is the InChIKey of 5-[(1Z)-buta-1,3-dienyl]-1-methylimidazol-4-amine?
The InChIKey is QHLHMQSBSJNIEU-PLNGDYQASA-N. The full InChI is InChI=1S/C8H11N3/c1-3-4-5-7-8(9)10-6-11(7)2/h3-6H,1,9H2,2H3/b5-4-.
What are the key properties of 5-[(1Z)-buta-1,3-dienyl]-1-methylimidazol-4-amine?
5-[(1Z)-buta-1,3-dienyl]-1-methylimidazol-4-amine has a molecular weight of 149.20 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1Z)-buta-1,3-dienyl]-1-methylimidazol-4-amine is sourced from PubChem (CID 118249493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).