N-[[6-(4-methylpyrazol-1-yl)pyridazin-3-yl]methyl]propan-1-amine

C12H17N5 — CID 62294737

IUPACN-[[6-(4-methylpyrazol-1-yl)pyridazin-3-yl]methyl]propan-1-amine
SMILESCCCNCc1ccc(-n2cc(C)cn2)nn1
InChIInChI=1S/C12H17N5/c1-3-6-13-8-11-4-5-12(16-15-11)17-9-10(2)7-14-17/h4-5,7,9,13H,3,6,8H2,1-2H3
InChIKeyVDHRJLBDNFLHRK-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.47
Rot. Bonds5

About N-[[6-(4-methylpyrazol-1-yl)pyridazin-3-yl]methyl]propan-1-amine

N-[[6-(4-methylpyrazol-1-yl)pyridazin-3-yl]methyl]propan-1-amine (PubChem CID 62294737) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is N-[[6-(4-methylpyrazol-1-yl)pyridazin-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[6-(4-methylpyrazol-1-yl)pyridazin-3-yl]methyl]propan-1-amine
PubChem CID62294737
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC NameN-[[6-(4-methylpyrazol-1-yl)pyridazin-3-yl]methyl]propan-1-amine
SMILESCCCNCc1ccc(-n2cc(C)cn2)nn1
InChIInChI=1S/C12H17N5/c1-3-6-13-8-11-4-5-12(16-15-11)17-9-10(2)7-14-17/h4-5,7,9,13H,3,6,8H2,1-2H3
InChIKeyVDHRJLBDNFLHRK-UHFFFAOYSA-N
XLogP1.47
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[[6-methyl-2-(4-methylpyrazol-1-yl)pyrimidin-4-yl]methyl]propan-1-amine
CID 114221125
N-[(6-pyrrolidin-1-ylpyridazin-3-yl)methyl]propan-1-amine
CID 62285405
N-[[6-(azepan-1-yl)pyridazin-3-yl]methyl]propan-1-amine
CID 62284754
N-[[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]methyl]propan-1-amine
CID 62351659
N-[[6-(3,4-dimethylpyrrolidin-1-yl)pyridazin-3-yl]methyl]propan-1-amine
CID 79183359
N-[(6-morpholin-4-ylpyridazin-3-yl)methyl]propan-1-amine
CID 62284393
3-[1-(6-methylpyridazin-3-yl)pyrazol-4-yl]-N-propylpropan-1-amine
CID 62718450
2-methyl-6-(4-methylpyrazol-1-yl)-N-propylpyrimidin-4-amine
CID 80852989
N-[[6-(4-propan-2-ylpiperazin-1-yl)pyridazin-3-yl]methyl]propan-1-amine
CID 62282587
N-[[6-(4,4-diethylpiperidin-1-yl)pyridazin-3-yl]methyl]propan-1-amine
CID 63160096
N-[[6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyridazin-3-yl]methyl]propan-1-amine
CID 66370018
N-[[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]methyl]propan-1-amine
CID 62285071

Frequently Asked Questions

What is the IUPAC name of N-[[6-(4-methylpyrazol-1-yl)pyridazin-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[[6-(4-methylpyrazol-1-yl)pyridazin-3-yl]methyl]propan-1-amine (CID 62294737) is N-[[6-(4-methylpyrazol-1-yl)pyridazin-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[6-(4-methylpyrazol-1-yl)pyridazin-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[6-(4-methylpyrazol-1-yl)pyridazin-3-yl]methyl]propan-1-amine is CCCNCc1ccc(-n2cc(C)cn2)nn1.
What is the InChIKey of N-[[6-(4-methylpyrazol-1-yl)pyridazin-3-yl]methyl]propan-1-amine?
The InChIKey is VDHRJLBDNFLHRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-3-6-13-8-11-4-5-12(16-15-11)17-9-10(2)7-14-17/h4-5,7,9,13H,3,6,8H2,1-2H3.
What are the key properties of N-[[6-(4-methylpyrazol-1-yl)pyridazin-3-yl]methyl]propan-1-amine?
N-[[6-(4-methylpyrazol-1-yl)pyridazin-3-yl]methyl]propan-1-amine has a molecular weight of 231.30 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(4-methylpyrazol-1-yl)pyridazin-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 62294737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).