N-[1-(5-methyl-2-phenylpyrazol-3-yl)propan-2-yl]-3-nitroimidazo[1,2-b]pyridazin-6-amine

C19H19N7O2 — CID 133421702

IUPACN-[1-(5-methyl-2-phenylpyrazol-3-yl)propan-2-yl]-3-nitroimidazo[1,2-b]pyridazin-6-amine
SMILESCc1cc(CC(C)Nc2ccc3ncc([N+](=O)[O-])n3n2)n(-c2ccccc2)n1
InChIInChI=1S/C19H19N7O2/c1-13(10-16-11-14(2)22-24(16)15-6-4-3-5-7-15)21-17-8-9-18-20-12-19(26(27)28)25(18)23-17/h3-9,11-13H,10H2,1-2H3,(H,21,23)
InChIKeyGIOVYSCIICSMJT-UHFFFAOYSA-N
MW377.41 g/mol
LogP3.17
Rot. Bonds6

About N-[1-(5-methyl-2-phenylpyrazol-3-yl)propan-2-yl]-3-nitroimidazo[1,2-b]pyridazin-6-amine

N-[1-(5-methyl-2-phenylpyrazol-3-yl)propan-2-yl]-3-nitroimidazo[1,2-b]pyridazin-6-amine (PubChem CID 133421702) has the molecular formula C19H19N7O2 and a molecular weight of 377.41 g/mol. Its IUPAC name is N-[1-(5-methyl-2-phenylpyrazol-3-yl)propan-2-yl]-3-nitroimidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-[1-(5-methyl-2-phenylpyrazol-3-yl)propan-2-yl]-3-nitroimidazo[1,2-b]pyridazin-6-amine
PubChem CID133421702
Molecular FormulaC19H19N7O2
Molecular Weight377.41 g/mol
Exact Mass377.16
IUPAC NameN-[1-(5-methyl-2-phenylpyrazol-3-yl)propan-2-yl]-3-nitroimidazo[1,2-b]pyridazin-6-amine
SMILESCc1cc(CC(C)Nc2ccc3ncc([N+](=O)[O-])n3n2)n(-c2ccccc2)n1
InChIInChI=1S/C19H19N7O2/c1-13(10-16-11-14(2)22-24(16)15-6-4-3-5-7-15)21-17-8-9-18-20-12-19(26(27)28)25(18)23-17/h3-9,11-13H,10H2,1-2H3,(H,21,23)
InChIKeyGIOVYSCIICSMJT-UHFFFAOYSA-N
XLogP3.17
TPSA103.18 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.41
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methyl-2-phenylpyrazol-3-yl)propan-2-yl]-3-nitroimidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of N-[1-(5-methyl-2-phenylpyrazol-3-yl)propan-2-yl]-3-nitroimidazo[1,2-b]pyridazin-6-amine (CID 133421702) is N-[1-(5-methyl-2-phenylpyrazol-3-yl)propan-2-yl]-3-nitroimidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for N-[1-(5-methyl-2-phenylpyrazol-3-yl)propan-2-yl]-3-nitroimidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for N-[1-(5-methyl-2-phenylpyrazol-3-yl)propan-2-yl]-3-nitroimidazo[1,2-b]pyridazin-6-amine is Cc1cc(CC(C)Nc2ccc3ncc([N+](=O)[O-])n3n2)n(-c2ccccc2)n1.
What is the InChIKey of N-[1-(5-methyl-2-phenylpyrazol-3-yl)propan-2-yl]-3-nitroimidazo[1,2-b]pyridazin-6-amine?
The InChIKey is GIOVYSCIICSMJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7O2/c1-13(10-16-11-14(2)22-24(16)15-6-4-3-5-7-15)21-17-8-9-18-20-12-19(26(27)28)25(18)23-17/h3-9,11-13H,10H2,1-2H3,(H,21,23).
What are the key properties of N-[1-(5-methyl-2-phenylpyrazol-3-yl)propan-2-yl]-3-nitroimidazo[1,2-b]pyridazin-6-amine?
N-[1-(5-methyl-2-phenylpyrazol-3-yl)propan-2-yl]-3-nitroimidazo[1,2-b]pyridazin-6-amine has a molecular weight of 377.41 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methyl-2-phenylpyrazol-3-yl)propan-2-yl]-3-nitroimidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 133421702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).