N-[[6-(4-propan-2-ylpiperazin-1-yl)pyridazin-3-yl]methyl]propan-1-amine

C15H27N5 — CID 62282587

IUPACN-[[6-(4-propan-2-ylpiperazin-1-yl)pyridazin-3-yl]methyl]propan-1-amine
SMILESCCCNCc1ccc(N2CCN(C(C)C)CC2)nn1
InChIInChI=1S/C15H27N5/c1-4-7-16-12-14-5-6-15(18-17-14)20-10-8-19(9-11-20)13(2)3/h5-6,13,16H,4,7-12H2,1-3H3
InChIKeyRRXZZEOYLLBPOW-UHFFFAOYSA-N
MW277.42 g/mol
LogP1.51
Rot. Bonds6

About N-[[6-(4-propan-2-ylpiperazin-1-yl)pyridazin-3-yl]methyl]propan-1-amine

N-[[6-(4-propan-2-ylpiperazin-1-yl)pyridazin-3-yl]methyl]propan-1-amine (PubChem CID 62282587) has the molecular formula C15H27N5 and a molecular weight of 277.42 g/mol. Its IUPAC name is N-[[6-(4-propan-2-ylpiperazin-1-yl)pyridazin-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[6-(4-propan-2-ylpiperazin-1-yl)pyridazin-3-yl]methyl]propan-1-amine
PubChem CID62282587
Molecular FormulaC15H27N5
Molecular Weight277.42 g/mol
Exact Mass277.23
IUPAC NameN-[[6-(4-propan-2-ylpiperazin-1-yl)pyridazin-3-yl]methyl]propan-1-amine
SMILESCCCNCc1ccc(N2CCN(C(C)C)CC2)nn1
InChIInChI=1S/C15H27N5/c1-4-7-16-12-14-5-6-15(18-17-14)20-10-8-19(9-11-20)13(2)3/h5-6,13,16H,4,7-12H2,1-3H3
InChIKeyRRXZZEOYLLBPOW-UHFFFAOYSA-N
XLogP1.51
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.42
LogP ≤ 51.51
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-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-morpholin-4-ylpyridazin-3-yl)methyl]propan-1-amine
CID 62284393
N-[[6-(4,4-diethylpiperidin-1-yl)pyridazin-3-yl]methyl]propan-1-amine
CID 63160096
N-[[5-(4-propan-2-ylpiperazin-1-yl)pyrazin-2-yl]methyl]propan-1-amine
CID 107379246
N-[[6-(3,4-dimethylpyrrolidin-1-yl)pyridazin-3-yl]methyl]propan-1-amine
CID 79183359
N-[[6-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)pyridazin-3-yl]methyl]propan-1-amine
CID 63026518
N-[[6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyridazin-3-yl]methyl]propan-1-amine
CID 66370018
N-[[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]methyl]ethanamine
CID 62279640
N-[[6-(3-methoxypiperidin-1-yl)pyridazin-3-yl]methyl]propan-1-amine
CID 102967726
N-[[2-(4-propan-2-ylpiperazin-1-yl)phenyl]methyl]propan-1-amine
CID 43585499
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-propan-2-ylpiperazin-1-yl)pyridazin-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[[6-(4-propan-2-ylpiperazin-1-yl)pyridazin-3-yl]methyl]propan-1-amine (CID 62282587) is N-[[6-(4-propan-2-ylpiperazin-1-yl)pyridazin-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[6-(4-propan-2-ylpiperazin-1-yl)pyridazin-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[6-(4-propan-2-ylpiperazin-1-yl)pyridazin-3-yl]methyl]propan-1-amine is CCCNCc1ccc(N2CCN(C(C)C)CC2)nn1.
What is the InChIKey of N-[[6-(4-propan-2-ylpiperazin-1-yl)pyridazin-3-yl]methyl]propan-1-amine?
The InChIKey is RRXZZEOYLLBPOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5/c1-4-7-16-12-14-5-6-15(18-17-14)20-10-8-19(9-11-20)13(2)3/h5-6,13,16H,4,7-12H2,1-3H3.
What are the key properties of N-[[6-(4-propan-2-ylpiperazin-1-yl)pyridazin-3-yl]methyl]propan-1-amine?
N-[[6-(4-propan-2-ylpiperazin-1-yl)pyridazin-3-yl]methyl]propan-1-amine has a molecular weight of 277.42 g/mol, XLogP of 1.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(4-propan-2-ylpiperazin-1-yl)pyridazin-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 62282587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).