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

C6H9N3 — CID 89121666

IUPACN-prop-2-ynyl-4,5-dihydro-1H-imidazol-2-amine
SMILESC#CCNC1=NCCN1
InChIInChI=1S/C6H9N3/c1-2-3-7-6-8-4-5-9-6/h1H,3-5H2,(H2,7,8,9)
InChIKeyQGVIOVIPMNJWDN-UHFFFAOYSA-N
MW123.16 g/mol
LogP-0.83
Rot. Bonds1

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

N-prop-2-ynyl-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 89121666) has the molecular formula C6H9N3 and a molecular weight of 123.16 g/mol. Its IUPAC name is N-prop-2-ynyl-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-prop-2-ynyl-4,5-dihydro-1H-imidazol-2-amine
PubChem CID89121666
Molecular FormulaC6H9N3
Molecular Weight123.16 g/mol
Exact Mass123.08
IUPAC NameN-prop-2-ynyl-4,5-dihydro-1H-imidazol-2-amine
SMILESC#CCNC1=NCCN1
InChIInChI=1S/C6H9N3/c1-2-3-7-6-8-4-5-9-6/h1H,3-5H2,(H2,7,8,9)
InChIKeyQGVIOVIPMNJWDN-UHFFFAOYSA-N
XLogP-0.83
TPSA36.42 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 ≤ 5-0.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-prop-2-ynyl-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of N-prop-2-ynyl-4,5-dihydro-1H-imidazol-2-amine (CID 89121666) is N-prop-2-ynyl-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for N-prop-2-ynyl-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for N-prop-2-ynyl-4,5-dihydro-1H-imidazol-2-amine is C#CCNC1=NCCN1.
What is the InChIKey of N-prop-2-ynyl-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is QGVIOVIPMNJWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3/c1-2-3-7-6-8-4-5-9-6/h1H,3-5H2,(H2,7,8,9).
What are the key properties of N-prop-2-ynyl-4,5-dihydro-1H-imidazol-2-amine?
N-prop-2-ynyl-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 123.16 g/mol, XLogP of -0.83, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-ynyl-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 89121666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).