[6-(3-methoxyphenoxy)pyridazin-3-yl]methanamine

C12H13N3O2 — CID 62297633

IUPAC[6-(3-methoxyphenoxy)pyridazin-3-yl]methanamine
SMILESCOc1cccc(Oc2ccc(CN)nn2)c1
InChIInChI=1S/C12H13N3O2/c1-16-10-3-2-4-11(7-10)17-12-6-5-9(8-13)14-15-12/h2-7H,8,13H2,1H3
InChIKeyKDJDTPBIKXRHPM-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.74
Rot. Bonds4

About [6-(3-methoxyphenoxy)pyridazin-3-yl]methanamine

[6-(3-methoxyphenoxy)pyridazin-3-yl]methanamine (PubChem CID 62297633) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is [6-(3-methoxyphenoxy)pyridazin-3-yl]methanamine.

Molecular Properties

Compound Name[6-(3-methoxyphenoxy)pyridazin-3-yl]methanamine
PubChem CID62297633
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name[6-(3-methoxyphenoxy)pyridazin-3-yl]methanamine
SMILESCOc1cccc(Oc2ccc(CN)nn2)c1
InChIInChI=1S/C12H13N3O2/c1-16-10-3-2-4-11(7-10)17-12-6-5-9(8-13)14-15-12/h2-7H,8,13H2,1H3
InChIKeyKDJDTPBIKXRHPM-UHFFFAOYSA-N
XLogP1.74
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[6-(3-methoxyphenoxy)pyridazin-3-yl]-N-methylmethanamine
CID 62297460
(6-phenoxypyridazin-3-yl)methanamine
CID 62296458
[6-(2-bromo-4-methoxyphenoxy)pyridazin-3-yl]methanamine
CID 104708330
3-chloro-6-(3-methoxyphenoxy)pyridazine
CID 13321729
6-(3-methoxyphenoxy)pyridin-3-amine
CID 806744
3-(chloromethyl)-6-(3-ethylphenoxy)pyridazine
CID 61270085
6-(3-methoxyphenoxy)pyridine-3-carbothioamide
CID 24697882
1-methoxy-3-[4-[4-(3-methoxyphenoxy)phenoxy]phenoxy]benzene
CID 139804491
azane;1,3-dimethoxybenzene
CID 70210283
tris(1,3-dimethoxybenzene);phosphane
CID 160853878
CID 172849383
CID 172849383
[2-ethyl-6-(3-methoxyphenoxy)pyrimidin-4-yl]hydrazine
CID 80940048

Frequently Asked Questions

What is the IUPAC name of [6-(3-methoxyphenoxy)pyridazin-3-yl]methanamine?
The IUPAC name of [6-(3-methoxyphenoxy)pyridazin-3-yl]methanamine (CID 62297633) is [6-(3-methoxyphenoxy)pyridazin-3-yl]methanamine.
What is the SMILES notation for [6-(3-methoxyphenoxy)pyridazin-3-yl]methanamine?
The canonical SMILES for [6-(3-methoxyphenoxy)pyridazin-3-yl]methanamine is COc1cccc(Oc2ccc(CN)nn2)c1.
What is the InChIKey of [6-(3-methoxyphenoxy)pyridazin-3-yl]methanamine?
The InChIKey is KDJDTPBIKXRHPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-16-10-3-2-4-11(7-10)17-12-6-5-9(8-13)14-15-12/h2-7H,8,13H2,1H3.
What are the key properties of [6-(3-methoxyphenoxy)pyridazin-3-yl]methanamine?
[6-(3-methoxyphenoxy)pyridazin-3-yl]methanamine has a molecular weight of 231.25 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3-methoxyphenoxy)pyridazin-3-yl]methanamine is sourced from PubChem (CID 62297633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).