N-methyl-1-[6-(3-propan-2-ylpyrazol-1-yl)pyridazin-3-yl]methanamine

C12H17N5 — CID 62491947

IUPACN-methyl-1-[6-(3-propan-2-ylpyrazol-1-yl)pyridazin-3-yl]methanamine
SMILESCNCc1ccc(-n2ccc(C(C)C)n2)nn1
InChIInChI=1S/C12H17N5/c1-9(2)11-6-7-17(16-11)12-5-4-10(8-13-3)14-15-12/h4-7,9,13H,8H2,1-3H3
InChIKeyBXUOTONPYNQJKT-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.51
Rot. Bonds4

About N-methyl-1-[6-(3-propan-2-ylpyrazol-1-yl)pyridazin-3-yl]methanamine

N-methyl-1-[6-(3-propan-2-ylpyrazol-1-yl)pyridazin-3-yl]methanamine (PubChem CID 62491947) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is N-methyl-1-[6-(3-propan-2-ylpyrazol-1-yl)pyridazin-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[6-(3-propan-2-ylpyrazol-1-yl)pyridazin-3-yl]methanamine
PubChem CID62491947
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC NameN-methyl-1-[6-(3-propan-2-ylpyrazol-1-yl)pyridazin-3-yl]methanamine
SMILESCNCc1ccc(-n2ccc(C(C)C)n2)nn1
InChIInChI=1S/C12H17N5/c1-9(2)11-6-7-17(16-11)12-5-4-10(8-13-3)14-15-12/h4-7,9,13H,8H2,1-3H3
InChIKeyBXUOTONPYNQJKT-UHFFFAOYSA-N
XLogP1.51
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[6-(3-propan-2-ylpyrazol-1-yl)pyridazin-3-yl]methanamine?
The IUPAC name of N-methyl-1-[6-(3-propan-2-ylpyrazol-1-yl)pyridazin-3-yl]methanamine (CID 62491947) is N-methyl-1-[6-(3-propan-2-ylpyrazol-1-yl)pyridazin-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[6-(3-propan-2-ylpyrazol-1-yl)pyridazin-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[6-(3-propan-2-ylpyrazol-1-yl)pyridazin-3-yl]methanamine is CNCc1ccc(-n2ccc(C(C)C)n2)nn1.
What is the InChIKey of N-methyl-1-[6-(3-propan-2-ylpyrazol-1-yl)pyridazin-3-yl]methanamine?
The InChIKey is BXUOTONPYNQJKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-9(2)11-6-7-17(16-11)12-5-4-10(8-13-3)14-15-12/h4-7,9,13H,8H2,1-3H3.
What are the key properties of N-methyl-1-[6-(3-propan-2-ylpyrazol-1-yl)pyridazin-3-yl]methanamine?
N-methyl-1-[6-(3-propan-2-ylpyrazol-1-yl)pyridazin-3-yl]methanamine has a molecular weight of 231.30 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[6-(3-propan-2-ylpyrazol-1-yl)pyridazin-3-yl]methanamine is sourced from PubChem (CID 62491947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).