N-[(6-methoxypyridazin-3-yl)-(1-propylimidazol-2-yl)methyl]ethanamine

C14H21N5O — CID 103374471

IUPACN-[(6-methoxypyridazin-3-yl)-(1-propylimidazol-2-yl)methyl]ethanamine
SMILESCCCn1ccnc1C(NCC)c1ccc(OC)nn1
InChIInChI=1S/C14H21N5O/c1-4-9-19-10-8-16-14(19)13(15-5-2)11-6-7-12(20-3)18-17-11/h6-8,10,13,15H,4-5,9H2,1-3H3
InChIKeyBNRIOXNZJOTICZ-UHFFFAOYSA-N
MW275.36 g/mol
LogP1.79
Rot. Bonds7

About N-[(6-methoxypyridazin-3-yl)-(1-propylimidazol-2-yl)methyl]ethanamine

N-[(6-methoxypyridazin-3-yl)-(1-propylimidazol-2-yl)methyl]ethanamine (PubChem CID 103374471) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is N-[(6-methoxypyridazin-3-yl)-(1-propylimidazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(6-methoxypyridazin-3-yl)-(1-propylimidazol-2-yl)methyl]ethanamine
PubChem CID103374471
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC NameN-[(6-methoxypyridazin-3-yl)-(1-propylimidazol-2-yl)methyl]ethanamine
SMILESCCCn1ccnc1C(NCC)c1ccc(OC)nn1
InChIInChI=1S/C14H21N5O/c1-4-9-19-10-8-16-14(19)13(15-5-2)11-6-7-12(20-3)18-17-11/h6-8,10,13,15H,4-5,9H2,1-3H3
InChIKeyBNRIOXNZJOTICZ-UHFFFAOYSA-N
XLogP1.79
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(5-methylpyrazin-2-yl)-(1-propylimidazol-2-yl)methyl]ethanamine
CID 105148936
N-ethyl-2-methoxy-1-(1-propylimidazol-2-yl)ethanamine
CID 63970852
N-[(3-fluorophenyl)-(1-propylimidazol-2-yl)methyl]ethanamine
CID 61317740
N-[(3-methylthiophen-2-yl)-(1-propylimidazol-2-yl)methyl]ethanamine
CID 61318152
N-[(6-methoxypyridazin-3-yl)-(4-methylphenyl)methyl]ethanamine
CID 103374615
N-[(6-methoxypyrimidin-4-yl)-(1-methylimidazol-2-yl)methyl]ethanamine
CID 102951798
N-[(4-bromo-2-methylphenyl)-(1-propylimidazol-2-yl)methyl]ethanamine
CID 61318558
N-ethyl-2-methyl-1-(1-propylimidazol-2-yl)propan-1-amine
CID 63967916
N-[(1,3-diethylpyrazol-5-yl)-(1-propylimidazol-2-yl)methyl]ethanamine
CID 105148852
N-[(3-methoxy-4-pyridinyl)-(1-propylimidazol-2-yl)methyl]propan-1-amine
CID 105064357
N-[(3,5-dichloro-2-pyridinyl)-(1-propylimidazol-2-yl)methyl]ethanamine
CID 79780571
N-ethyl-1-(6-methoxypyridazin-3-yl)butan-1-amine
CID 103374404

Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxypyridazin-3-yl)-(1-propylimidazol-2-yl)methyl]ethanamine?
The IUPAC name of N-[(6-methoxypyridazin-3-yl)-(1-propylimidazol-2-yl)methyl]ethanamine (CID 103374471) is N-[(6-methoxypyridazin-3-yl)-(1-propylimidazol-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(6-methoxypyridazin-3-yl)-(1-propylimidazol-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(6-methoxypyridazin-3-yl)-(1-propylimidazol-2-yl)methyl]ethanamine is CCCn1ccnc1C(NCC)c1ccc(OC)nn1.
What is the InChIKey of N-[(6-methoxypyridazin-3-yl)-(1-propylimidazol-2-yl)methyl]ethanamine?
The InChIKey is BNRIOXNZJOTICZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-4-9-19-10-8-16-14(19)13(15-5-2)11-6-7-12(20-3)18-17-11/h6-8,10,13,15H,4-5,9H2,1-3H3.
What are the key properties of N-[(6-methoxypyridazin-3-yl)-(1-propylimidazol-2-yl)methyl]ethanamine?
N-[(6-methoxypyridazin-3-yl)-(1-propylimidazol-2-yl)methyl]ethanamine has a molecular weight of 275.36 g/mol, XLogP of 1.79, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxypyridazin-3-yl)-(1-propylimidazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 103374471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).