[5-(5-methoxypyridazin-3-yl)-3-pyridinyl]methanamine

C11H12N4O — CID 141416071

IUPAC[5-(5-methoxypyridazin-3-yl)-3-pyridinyl]methanamine
SMILESCOc1cnnc(-c2cncc(CN)c2)c1
InChIInChI=1S/C11H12N4O/c1-16-10-3-11(15-14-7-10)9-2-8(4-12)5-13-6-9/h2-3,5-7H,4,12H2,1H3
InChIKeyZHYYFVDLPIVZSB-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.01
Rot. Bonds3

About [5-(5-methoxypyridazin-3-yl)-3-pyridinyl]methanamine

[5-(5-methoxypyridazin-3-yl)-3-pyridinyl]methanamine (PubChem CID 141416071) has the molecular formula C11H12N4O and a molecular weight of 216.24 g/mol. Its IUPAC name is [5-(5-methoxypyridazin-3-yl)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[5-(5-methoxypyridazin-3-yl)-3-pyridinyl]methanamine
PubChem CID141416071
Molecular FormulaC11H12N4O
Molecular Weight216.24 g/mol
Exact Mass216.10
IUPAC Name[5-(5-methoxypyridazin-3-yl)-3-pyridinyl]methanamine
SMILESCOc1cnnc(-c2cncc(CN)c2)c1
InChIInChI=1S/C11H12N4O/c1-16-10-3-11(15-14-7-10)9-2-8(4-12)5-13-6-9/h2-3,5-7H,4,12H2,1H3
InChIKeyZHYYFVDLPIVZSB-UHFFFAOYSA-N
XLogP1.01
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(2-methoxyphenyl)-3-pyridinyl]methanamine;dihydrochloride
CID 171365623
(5-pyridin-4-yl-3-pyridinyl)methanamine
CID 71301604
[5-(5-fluoro-3-pyridinyl)-3-pyridinyl]methanamine
CID 82506490
2-[(5-methoxy-3-pyridinyl)methoxy]ethanamine
CID 70124527
[5-(4-bromophenyl)-3-pyridinyl]methanamine
CID 22074992
[5-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]methanamine;dihydrochloride
CID 171369144
3-bromo-5-methoxypyridazine
CID 118497529
ethyl 6-(4-methoxyphenyl)pyridazine-4-carboxylate
CID 121205212
6-(5-methoxy-3-pyridinyl)pyridin-2-amine
CID 39834222
5-bromo-3-(4-methoxyphenyl)pyridazine
CID 117107154
5-(aminomethyl)-N,N-dimethylpyridin-3-amine
CID 59570189
3-(2-bromoethyl)-5-methoxypyridine
CID 22037882

Frequently Asked Questions

What is the IUPAC name of [5-(5-methoxypyridazin-3-yl)-3-pyridinyl]methanamine?
The IUPAC name of [5-(5-methoxypyridazin-3-yl)-3-pyridinyl]methanamine (CID 141416071) is [5-(5-methoxypyridazin-3-yl)-3-pyridinyl]methanamine.
What is the SMILES notation for [5-(5-methoxypyridazin-3-yl)-3-pyridinyl]methanamine?
The canonical SMILES for [5-(5-methoxypyridazin-3-yl)-3-pyridinyl]methanamine is COc1cnnc(-c2cncc(CN)c2)c1.
What is the InChIKey of [5-(5-methoxypyridazin-3-yl)-3-pyridinyl]methanamine?
The InChIKey is ZHYYFVDLPIVZSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O/c1-16-10-3-11(15-14-7-10)9-2-8(4-12)5-13-6-9/h2-3,5-7H,4,12H2,1H3.
What are the key properties of [5-(5-methoxypyridazin-3-yl)-3-pyridinyl]methanamine?
[5-(5-methoxypyridazin-3-yl)-3-pyridinyl]methanamine has a molecular weight of 216.24 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(5-methoxypyridazin-3-yl)-3-pyridinyl]methanamine is sourced from PubChem (CID 141416071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).