1-(6-methoxypyridazin-3-yl)-N-[(2-methyloxolan-2-yl)methyl]methanamine

C12H19N3O2 — CID 114268605

IUPAC1-(6-methoxypyridazin-3-yl)-N-[(2-methyloxolan-2-yl)methyl]methanamine
SMILESCOc1ccc(CNCC2(C)CCCO2)nn1
InChIInChI=1S/C12H19N3O2/c1-12(6-3-7-17-12)9-13-8-10-4-5-11(16-2)15-14-10/h4-5,13H,3,6-9H2,1-2H3
InChIKeyPKJCRVCWHKVOIL-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.14
Rot. Bonds5

About 1-(6-methoxypyridazin-3-yl)-N-[(2-methyloxolan-2-yl)methyl]methanamine

1-(6-methoxypyridazin-3-yl)-N-[(2-methyloxolan-2-yl)methyl]methanamine (PubChem CID 114268605) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 1-(6-methoxypyridazin-3-yl)-N-[(2-methyloxolan-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(6-methoxypyridazin-3-yl)-N-[(2-methyloxolan-2-yl)methyl]methanamine
PubChem CID114268605
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name1-(6-methoxypyridazin-3-yl)-N-[(2-methyloxolan-2-yl)methyl]methanamine
SMILESCOc1ccc(CNCC2(C)CCCO2)nn1
InChIInChI=1S/C12H19N3O2/c1-12(6-3-7-17-12)9-13-8-10-4-5-11(16-2)15-14-10/h4-5,13H,3,6-9H2,1-2H3
InChIKeyPKJCRVCWHKVOIL-UHFFFAOYSA-N
XLogP1.14
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxypyridazin-3-yl)-N-[(2-methyloxolan-2-yl)methyl]methanamine?
The IUPAC name of 1-(6-methoxypyridazin-3-yl)-N-[(2-methyloxolan-2-yl)methyl]methanamine (CID 114268605) is 1-(6-methoxypyridazin-3-yl)-N-[(2-methyloxolan-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(6-methoxypyridazin-3-yl)-N-[(2-methyloxolan-2-yl)methyl]methanamine?
The canonical SMILES for 1-(6-methoxypyridazin-3-yl)-N-[(2-methyloxolan-2-yl)methyl]methanamine is COc1ccc(CNCC2(C)CCCO2)nn1.
What is the InChIKey of 1-(6-methoxypyridazin-3-yl)-N-[(2-methyloxolan-2-yl)methyl]methanamine?
The InChIKey is PKJCRVCWHKVOIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-12(6-3-7-17-12)9-13-8-10-4-5-11(16-2)15-14-10/h4-5,13H,3,6-9H2,1-2H3.
What are the key properties of 1-(6-methoxypyridazin-3-yl)-N-[(2-methyloxolan-2-yl)methyl]methanamine?
1-(6-methoxypyridazin-3-yl)-N-[(2-methyloxolan-2-yl)methyl]methanamine has a molecular weight of 237.30 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxypyridazin-3-yl)-N-[(2-methyloxolan-2-yl)methyl]methanamine is sourced from PubChem (CID 114268605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).