1-(1,5-dihydroimidazo[1,2-b]pyrazol-4-ium-7-yl)-2-(1-methylimidazol-2-yl)ethanamine

C11H15N6+ — CID 82390583

IUPAC1-(1,5-dihydroimidazo[1,2-b]pyrazol-4-ium-7-yl)-2-(1-methylimidazol-2-yl)ethanamine
SMILESCn1ccnc1CC(N)c1c[nH][n+]2cc[nH]c12
InChIInChI=1S/C11H14N6/c1-16-4-2-13-10(16)6-9(12)8-7-15-17-5-3-14-11(8)17/h2-5,7,9H,6,12H2,1H3,(H,14,15)/p+1
InChIKeyXWVPHMZDGSEEIX-UHFFFAOYSA-O
MW231.28 g/mol
LogP0.06
Rot. Bonds3

About 1-(1,5-dihydroimidazo[1,2-b]pyrazol-4-ium-7-yl)-2-(1-methylimidazol-2-yl)ethanamine

1-(1,5-dihydroimidazo[1,2-b]pyrazol-4-ium-7-yl)-2-(1-methylimidazol-2-yl)ethanamine (PubChem CID 82390583) has the molecular formula C11H15N6+ and a molecular weight of 231.28 g/mol. Its IUPAC name is 1-(1,5-dihydroimidazo[1,2-b]pyrazol-4-ium-7-yl)-2-(1-methylimidazol-2-yl)ethanamine.

Molecular Properties

Compound Name1-(1,5-dihydroimidazo[1,2-b]pyrazol-4-ium-7-yl)-2-(1-methylimidazol-2-yl)ethanamine
PubChem CID82390583
Molecular FormulaC11H15N6+
Molecular Weight231.28 g/mol
Exact Mass231.14
IUPAC Name1-(1,5-dihydroimidazo[1,2-b]pyrazol-4-ium-7-yl)-2-(1-methylimidazol-2-yl)ethanamine
SMILESCn1ccnc1CC(N)c1c[nH][n+]2cc[nH]c12
InChIInChI=1S/C11H14N6/c1-16-4-2-13-10(16)6-9(12)8-7-15-17-5-3-14-11(8)17/h2-5,7,9H,6,12H2,1H3,(H,14,15)/p+1
InChIKeyXWVPHMZDGSEEIX-UHFFFAOYSA-O
XLogP0.06
TPSA79.52 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.28
LogP ≤ 50.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1-(1H-indol-4-yl)-2-(1-methylimidazol-2-yl)ethanamine
CID 82387873
2-(1-methylimidazol-2-yl)-1-(6-methyl-1H-indol-3-yl)ethanamine
CID 82381092
2-(1-methylimidazol-2-yl)-1-(2,3,4-trifluorophenyl)ethanamine
CID 105011303
1-(3-chloro-2-fluorophenyl)-2-(1-methylimidazol-2-yl)ethanamine
CID 79761475
1-(3-ethyl-1-methylpyrazol-4-yl)-2-(1-methylimidazol-2-yl)ethanamine
CID 102812630
2-(1-methylimidazol-2-yl)-1-quinolin-4-ylethanamine
CID 105167218
1-(2,4-dibromophenyl)-2-(1-methylimidazol-2-yl)ethanamine
CID 114019331
1-(2-bromo-5-methylphenyl)-2-(1-methylimidazol-2-yl)ethanamine
CID 105011679
1-(5-bromo-2-methylphenyl)-2-(1-methylimidazol-2-yl)ethanamine
CID 105011669
2-(1-methylimidazol-2-yl)-1-(1-methylpyrazol-3-yl)ethanamine
CID 79760474
1-(3,5-dichlorophenyl)-2-(1-methylimidazol-2-yl)ethanamine
CID 115580385
1-(4-tert-butylphenyl)-2-(1-methylimidazol-2-yl)ethanamine
CID 115580384

Frequently Asked Questions

What is the IUPAC name of 1-(1,5-dihydroimidazo[1,2-b]pyrazol-4-ium-7-yl)-2-(1-methylimidazol-2-yl)ethanamine?
The IUPAC name of 1-(1,5-dihydroimidazo[1,2-b]pyrazol-4-ium-7-yl)-2-(1-methylimidazol-2-yl)ethanamine (CID 82390583) is 1-(1,5-dihydroimidazo[1,2-b]pyrazol-4-ium-7-yl)-2-(1-methylimidazol-2-yl)ethanamine.
What is the SMILES notation for 1-(1,5-dihydroimidazo[1,2-b]pyrazol-4-ium-7-yl)-2-(1-methylimidazol-2-yl)ethanamine?
The canonical SMILES for 1-(1,5-dihydroimidazo[1,2-b]pyrazol-4-ium-7-yl)-2-(1-methylimidazol-2-yl)ethanamine is Cn1ccnc1CC(N)c1c[nH][n+]2cc[nH]c12.
What is the InChIKey of 1-(1,5-dihydroimidazo[1,2-b]pyrazol-4-ium-7-yl)-2-(1-methylimidazol-2-yl)ethanamine?
The InChIKey is XWVPHMZDGSEEIX-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H14N6/c1-16-4-2-13-10(16)6-9(12)8-7-15-17-5-3-14-11(8)17/h2-5,7,9H,6,12H2,1H3,(H,14,15)/p+1.
What are the key properties of 1-(1,5-dihydroimidazo[1,2-b]pyrazol-4-ium-7-yl)-2-(1-methylimidazol-2-yl)ethanamine?
1-(1,5-dihydroimidazo[1,2-b]pyrazol-4-ium-7-yl)-2-(1-methylimidazol-2-yl)ethanamine has a molecular weight of 231.28 g/mol, XLogP of 0.06, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,5-dihydroimidazo[1,2-b]pyrazol-4-ium-7-yl)-2-(1-methylimidazol-2-yl)ethanamine is sourced from PubChem (CID 82390583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).