5-prop-2-ynyl-4,5-dihydro-1H-imidazol-2-amine

C6H9N3 — CID 89143529

IUPAC5-prop-2-ynyl-4,5-dihydro-1H-imidazol-2-amine
SMILESC#CCC1CN=C(N)N1
InChIInChI=1S/C6H9N3/c1-2-3-5-4-8-6(7)9-5/h1,5H,3-4H2,(H3,7,8,9)
InChIKeyUMIFDERNRLKOCK-UHFFFAOYSA-N
MW123.16 g/mol
LogP-0.70
Rot. Bonds1

About 5-prop-2-ynyl-4,5-dihydro-1H-imidazol-2-amine

5-prop-2-ynyl-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 89143529) has the molecular formula C6H9N3 and a molecular weight of 123.16 g/mol. Its IUPAC name is 5-prop-2-ynyl-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound Name5-prop-2-ynyl-4,5-dihydro-1H-imidazol-2-amine
PubChem CID89143529
Molecular FormulaC6H9N3
Molecular Weight123.16 g/mol
Exact Mass123.08
IUPAC Name5-prop-2-ynyl-4,5-dihydro-1H-imidazol-2-amine
SMILESC#CCC1CN=C(N)N1
InChIInChI=1S/C6H9N3/c1-2-3-5-4-8-6(7)9-5/h1,5H,3-4H2,(H3,7,8,9)
InChIKeyUMIFDERNRLKOCK-UHFFFAOYSA-N
XLogP-0.70
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.16
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-but-3-ynyl-4,5-dihydro-1H-imidazol-2-amine
CID 89143527
5-oct-7-ynyl-4,5-dihydro-1H-imidazol-2-amine
CID 89143467
5-ethyl-4,5-dihydro-1H-imidazol-2-amine
CID 70319974
3-[(5R)-2-amino-4,5-dihydro-1H-imidazol-5-yl]propanoic acid
CID 137349244
5-(2-methylsulfanylethyl)-4,5-dihydro-1H-imidazol-2-amine
CID 79510691
5-(2-phenylethyl)-4,5-dihydro-1H-imidazol-2-amine
CID 79510463
carbonic acid;5-methyl-4,5-dihydro-1H-imidazol-2-amine
CID 159919464
5-pentan-2-yl-4,5-dihydro-1H-imidazol-2-amine
CID 79510805
5-(5-methyloxolan-2-yl)-4,5-dihydro-1H-imidazol-2-amine
CID 82839276
2-prop-2-ynylcycloheptan-1-amine
CID 62603077
(2-prop-2-ynylcyclohexyl)methanamine
CID 81010145
5-[2-(methoxymethyl)phenyl]-4,5-dihydro-1H-imidazol-2-amine
CID 79509782

Frequently Asked Questions

What is the IUPAC name of 5-prop-2-ynyl-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of 5-prop-2-ynyl-4,5-dihydro-1H-imidazol-2-amine (CID 89143529) is 5-prop-2-ynyl-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for 5-prop-2-ynyl-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for 5-prop-2-ynyl-4,5-dihydro-1H-imidazol-2-amine is C#CCC1CN=C(N)N1.
What is the InChIKey of 5-prop-2-ynyl-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is UMIFDERNRLKOCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3/c1-2-3-5-4-8-6(7)9-5/h1,5H,3-4H2,(H3,7,8,9).
What are the key properties of 5-prop-2-ynyl-4,5-dihydro-1H-imidazol-2-amine?
5-prop-2-ynyl-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 123.16 g/mol, XLogP of -0.70, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-prop-2-ynyl-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 89143529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).