1,6-dimethyl-3-propan-2-yl-7H-imidazo[1,2-b]pyrazol-1-ium

C10H16N3+ — CID 22944478

IUPAC1,6-dimethyl-3-propan-2-yl-7H-imidazo[1,2-b]pyrazol-1-ium
SMILESCC1=Nn2c(C(C)C)c[n+](C)c2C1
InChIInChI=1S/C10H16N3/c1-7(2)9-6-12(4)10-5-8(3)11-13(9)10/h6-7H,5H2,1-4H3/q+1
InChIKeyYVWXNTKBCXTLMC-UHFFFAOYSA-N
MW178.26 g/mol
LogP1.22
Rot. Bonds1

About 1,6-dimethyl-3-propan-2-yl-7H-imidazo[1,2-b]pyrazol-1-ium

1,6-dimethyl-3-propan-2-yl-7H-imidazo[1,2-b]pyrazol-1-ium (PubChem CID 22944478) has the molecular formula C10H16N3+ and a molecular weight of 178.26 g/mol. Its IUPAC name is 1,6-dimethyl-3-propan-2-yl-7H-imidazo[1,2-b]pyrazol-1-ium.

Molecular Properties

Compound Name1,6-dimethyl-3-propan-2-yl-7H-imidazo[1,2-b]pyrazol-1-ium
PubChem CID22944478
Molecular FormulaC10H16N3+
Molecular Weight178.26 g/mol
Exact Mass178.13
IUPAC Name1,6-dimethyl-3-propan-2-yl-7H-imidazo[1,2-b]pyrazol-1-ium
SMILESCC1=Nn2c(C(C)C)c[n+](C)c2C1
InChIInChI=1S/C10H16N3/c1-7(2)9-6-12(4)10-5-8(3)11-13(9)10/h6-7H,5H2,1-4H3/q+1
InChIKeyYVWXNTKBCXTLMC-UHFFFAOYSA-N
XLogP1.22
TPSA21.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.26
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-3-propan-2-yl-7H-imidazo[1,2-b]pyrazol-1-ium?
The IUPAC name of 1,6-dimethyl-3-propan-2-yl-7H-imidazo[1,2-b]pyrazol-1-ium (CID 22944478) is 1,6-dimethyl-3-propan-2-yl-7H-imidazo[1,2-b]pyrazol-1-ium.
What is the SMILES notation for 1,6-dimethyl-3-propan-2-yl-7H-imidazo[1,2-b]pyrazol-1-ium?
The canonical SMILES for 1,6-dimethyl-3-propan-2-yl-7H-imidazo[1,2-b]pyrazol-1-ium is CC1=Nn2c(C(C)C)c[n+](C)c2C1.
What is the InChIKey of 1,6-dimethyl-3-propan-2-yl-7H-imidazo[1,2-b]pyrazol-1-ium?
The InChIKey is YVWXNTKBCXTLMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N3/c1-7(2)9-6-12(4)10-5-8(3)11-13(9)10/h6-7H,5H2,1-4H3/q+1.
What are the key properties of 1,6-dimethyl-3-propan-2-yl-7H-imidazo[1,2-b]pyrazol-1-ium?
1,6-dimethyl-3-propan-2-yl-7H-imidazo[1,2-b]pyrazol-1-ium has a molecular weight of 178.26 g/mol, XLogP of 1.22, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-3-propan-2-yl-7H-imidazo[1,2-b]pyrazol-1-ium is sourced from PubChem (CID 22944478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).