5-ethynyl-4-methyl-1-propylimidazol-2-amine

C9H13N3 — CID 130678906

IUPAC5-ethynyl-4-methyl-1-propylimidazol-2-amine
SMILESC#Cc1c(C)nc(N)n1CCC
InChIInChI=1S/C9H13N3/c1-4-6-12-8(5-2)7(3)11-9(12)10/h2H,4,6H2,1,3H3,(H2,10,11)
InChIKeyXPZCCYBDZFCQKP-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.17
Rot. Bonds2

About 5-ethynyl-4-methyl-1-propylimidazol-2-amine

5-ethynyl-4-methyl-1-propylimidazol-2-amine (PubChem CID 130678906) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is 5-ethynyl-4-methyl-1-propylimidazol-2-amine.

Molecular Properties

Compound Name5-ethynyl-4-methyl-1-propylimidazol-2-amine
PubChem CID130678906
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Name5-ethynyl-4-methyl-1-propylimidazol-2-amine
SMILESC#Cc1c(C)nc(N)n1CCC
InChIInChI=1S/C9H13N3/c1-4-6-12-8(5-2)7(3)11-9(12)10/h2H,4,6H2,1,3H3,(H2,10,11)
InChIKeyXPZCCYBDZFCQKP-UHFFFAOYSA-N
XLogP1.17
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5,6-dimethyl-1-propylbenzimidazol-2-amine
CID 82359039
5-ethynyl-1,3-dimethylpyrazol-4-amine
CID 45079261
1-ethyl-4-methyl-5-(2-methylcyclopropyl)imidazol-2-amine
CID 130663651
2-amino-5-butyl-3-ethyl-6-methylpyrimidin-4-one
CID 13191402
7-methoxy-5-methyl-1-propylbenzimidazol-2-amine
CID 146319405
4-bromo-1-propylbenzimidazol-2-amine
CID 84804649
2-amino-1-propylbenzimidazol-5-ol
CID 84771922
5-(2,2-dimethylcyclopropyl)-1-ethyl-4-methylimidazol-2-amine
CID 130791618
5-phenyl-4-propyl-1,2,4-triazol-3-amine
CID 162403538
8-amino-3-methyl-1-propyl-6-sulfanylidenepyrimido[1,6-b][1,2,4]triazin-2-one
CID 3088766
5-bromo-6-fluoro-1-propylbenzimidazol-2-amine
CID 66088233
2-methyl-5-pentan-2-yl-3-propylimidazol-4-amine
CID 62226709

Frequently Asked Questions

What is the IUPAC name of 5-ethynyl-4-methyl-1-propylimidazol-2-amine?
The IUPAC name of 5-ethynyl-4-methyl-1-propylimidazol-2-amine (CID 130678906) is 5-ethynyl-4-methyl-1-propylimidazol-2-amine.
What is the SMILES notation for 5-ethynyl-4-methyl-1-propylimidazol-2-amine?
The canonical SMILES for 5-ethynyl-4-methyl-1-propylimidazol-2-amine is C#Cc1c(C)nc(N)n1CCC.
What is the InChIKey of 5-ethynyl-4-methyl-1-propylimidazol-2-amine?
The InChIKey is XPZCCYBDZFCQKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3/c1-4-6-12-8(5-2)7(3)11-9(12)10/h2H,4,6H2,1,3H3,(H2,10,11).
What are the key properties of 5-ethynyl-4-methyl-1-propylimidazol-2-amine?
5-ethynyl-4-methyl-1-propylimidazol-2-amine has a molecular weight of 163.22 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethynyl-4-methyl-1-propylimidazol-2-amine is sourced from PubChem (CID 130678906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).