3-[(Z)-prop-1-enyl]imidazol-4-amine

C6H9N3 — CID 170048351

IUPAC3-[(Z)-prop-1-enyl]imidazol-4-amine
SMILESC/C=C\n1cncc1N
InChIInChI=1S/C6H9N3/c1-2-3-9-5-8-4-6(9)7/h2-5H,7H2,1H3/b3-2-
InChIKeyQFPLXDLBDJSFLY-IHWYPQMZSA-N
MW123.16 g/mol
LogP0.96
Rot. Bonds1

About 3-[(Z)-prop-1-enyl]imidazol-4-amine

3-[(Z)-prop-1-enyl]imidazol-4-amine (PubChem CID 170048351) has the molecular formula C6H9N3 and a molecular weight of 123.16 g/mol. Its IUPAC name is 3-[(Z)-prop-1-enyl]imidazol-4-amine.

Molecular Properties

Compound Name3-[(Z)-prop-1-enyl]imidazol-4-amine
PubChem CID170048351
Molecular FormulaC6H9N3
Molecular Weight123.16 g/mol
Exact Mass123.08
IUPAC Name3-[(Z)-prop-1-enyl]imidazol-4-amine
SMILESC/C=C\n1cncc1N
InChIInChI=1S/C6H9N3/c1-2-3-9-5-8-4-6(9)7/h2-5H,7H2,1H3/b3-2-
InChIKeyQFPLXDLBDJSFLY-IHWYPQMZSA-N
XLogP0.96
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.16
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-prop-1-enyl]imidazol-4-amine?
The IUPAC name of 3-[(Z)-prop-1-enyl]imidazol-4-amine (CID 170048351) is 3-[(Z)-prop-1-enyl]imidazol-4-amine.
What is the SMILES notation for 3-[(Z)-prop-1-enyl]imidazol-4-amine?
The canonical SMILES for 3-[(Z)-prop-1-enyl]imidazol-4-amine is C/C=C\n1cncc1N.
What is the InChIKey of 3-[(Z)-prop-1-enyl]imidazol-4-amine?
The InChIKey is QFPLXDLBDJSFLY-IHWYPQMZSA-N. The full InChI is InChI=1S/C6H9N3/c1-2-3-9-5-8-4-6(9)7/h2-5H,7H2,1H3/b3-2-.
What are the key properties of 3-[(Z)-prop-1-enyl]imidazol-4-amine?
3-[(Z)-prop-1-enyl]imidazol-4-amine has a molecular weight of 123.16 g/mol, XLogP of 0.96, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-prop-1-enyl]imidazol-4-amine is sourced from PubChem (CID 170048351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).