5-but-3-ynyl-4,5-dihydro-1H-imidazol-2-amine

C7H11N3 — CID 89143527

IUPAC5-but-3-ynyl-4,5-dihydro-1H-imidazol-2-amine
SMILESC#CCCC1CN=C(N)N1
InChIInChI=1S/C7H11N3/c1-2-3-4-6-5-9-7(8)10-6/h1,6H,3-5H2,(H3,8,9,10)
InChIKeySTAGWNRTYWYDRL-UHFFFAOYSA-N
MW137.19 g/mol
LogP-0.31
Rot. Bonds2

About 5-but-3-ynyl-4,5-dihydro-1H-imidazol-2-amine

5-but-3-ynyl-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 89143527) has the molecular formula C7H11N3 and a molecular weight of 137.19 g/mol. Its IUPAC name is 5-but-3-ynyl-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound Name5-but-3-ynyl-4,5-dihydro-1H-imidazol-2-amine
PubChem CID89143527
Molecular FormulaC7H11N3
Molecular Weight137.19 g/mol
Exact Mass137.10
IUPAC Name5-but-3-ynyl-4,5-dihydro-1H-imidazol-2-amine
SMILESC#CCCC1CN=C(N)N1
InChIInChI=1S/C7H11N3/c1-2-3-4-6-5-9-7(8)10-6/h1,6H,3-5H2,(H3,8,9,10)
InChIKeySTAGWNRTYWYDRL-UHFFFAOYSA-N
XLogP-0.31
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.19
LogP ≤ 5-0.31
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-oct-7-ynyl-4,5-dihydro-1H-imidazol-2-amine
CID 89143467
5-prop-2-ynyl-4,5-dihydro-1H-imidazol-2-amine
CID 89143529
5-(2-methylsulfanylethyl)-4,5-dihydro-1H-imidazol-2-amine
CID 79510691
5-(2-phenylethyl)-4,5-dihydro-1H-imidazol-2-amine
CID 79510463
5-but-3-ynylpyrrolidin-2-one
CID 15531515
(2-but-3-ynylcycloheptyl)methanamine
CID 81010939
(1R,4S)-7-pent-4-ynyl-2,3-diazabicyclo[2.2.1]heptane
CID 10535027
3-but-3-ynylpiperidin-4-one
CID 114451562
2-but-3-ynyl-3-methylcyclopentan-1-one
CID 11275107
2,5-dibutyl-4,5-dihydro-1H-imidazole
CID 88688688
2-(2-propan-2-yl-4,5-dihydro-1H-imidazol-5-yl)ethanol;dihydrochloride
CID 66718047
2-but-3-ynylcyclobutane-1-carboxylic acid
CID 81009237

Frequently Asked Questions

What is the IUPAC name of 5-but-3-ynyl-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of 5-but-3-ynyl-4,5-dihydro-1H-imidazol-2-amine (CID 89143527) is 5-but-3-ynyl-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for 5-but-3-ynyl-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for 5-but-3-ynyl-4,5-dihydro-1H-imidazol-2-amine is C#CCCC1CN=C(N)N1.
What is the InChIKey of 5-but-3-ynyl-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is STAGWNRTYWYDRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3/c1-2-3-4-6-5-9-7(8)10-6/h1,6H,3-5H2,(H3,8,9,10).
What are the key properties of 5-but-3-ynyl-4,5-dihydro-1H-imidazol-2-amine?
5-but-3-ynyl-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 137.19 g/mol, XLogP of -0.31, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-but-3-ynyl-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 89143527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).