N-[[6-(4-methoxypyrazol-1-yl)pyridazin-3-yl]methyl]cyclopropanamine

C12H15N5O — CID 114274107

IUPACN-[[6-(4-methoxypyrazol-1-yl)pyridazin-3-yl]methyl]cyclopropanamine
SMILESCOc1cnn(-c2ccc(CNC3CC3)nn2)c1
InChIInChI=1S/C12H15N5O/c1-18-11-7-14-17(8-11)12-5-4-10(15-16-12)6-13-9-2-3-9/h4-5,7-9,13H,2-3,6H2,1H3
InChIKeyYJVNZJLHFZOUDX-UHFFFAOYSA-N
MW245.29 g/mol
LogP0.92
Rot. Bonds5

About N-[[6-(4-methoxypyrazol-1-yl)pyridazin-3-yl]methyl]cyclopropanamine

N-[[6-(4-methoxypyrazol-1-yl)pyridazin-3-yl]methyl]cyclopropanamine (PubChem CID 114274107) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is N-[[6-(4-methoxypyrazol-1-yl)pyridazin-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[6-(4-methoxypyrazol-1-yl)pyridazin-3-yl]methyl]cyclopropanamine
PubChem CID114274107
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC NameN-[[6-(4-methoxypyrazol-1-yl)pyridazin-3-yl]methyl]cyclopropanamine
SMILESCOc1cnn(-c2ccc(CNC3CC3)nn2)c1
InChIInChI=1S/C12H15N5O/c1-18-11-7-14-17(8-11)12-5-4-10(15-16-12)6-13-9-2-3-9/h4-5,7-9,13H,2-3,6H2,1H3
InChIKeyYJVNZJLHFZOUDX-UHFFFAOYSA-N
XLogP0.92
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(4-methoxypyrazol-1-yl)pyridazin-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[6-(4-methoxypyrazol-1-yl)pyridazin-3-yl]methyl]cyclopropanamine (CID 114274107) is N-[[6-(4-methoxypyrazol-1-yl)pyridazin-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[6-(4-methoxypyrazol-1-yl)pyridazin-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[6-(4-methoxypyrazol-1-yl)pyridazin-3-yl]methyl]cyclopropanamine is COc1cnn(-c2ccc(CNC3CC3)nn2)c1.
What is the InChIKey of N-[[6-(4-methoxypyrazol-1-yl)pyridazin-3-yl]methyl]cyclopropanamine?
The InChIKey is YJVNZJLHFZOUDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-18-11-7-14-17(8-11)12-5-4-10(15-16-12)6-13-9-2-3-9/h4-5,7-9,13H,2-3,6H2,1H3.
What are the key properties of N-[[6-(4-methoxypyrazol-1-yl)pyridazin-3-yl]methyl]cyclopropanamine?
N-[[6-(4-methoxypyrazol-1-yl)pyridazin-3-yl]methyl]cyclopropanamine has a molecular weight of 245.29 g/mol, XLogP of 0.92, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(4-methoxypyrazol-1-yl)pyridazin-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 114274107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).