N-(oxetan-3-ylmethyl)-5-prop-1-en-2-ylpyridazin-3-amine

C11H15N3O — CID 168929653

IUPACN-(oxetan-3-ylmethyl)-5-prop-1-en-2-ylpyridazin-3-amine
SMILESC=C(C)c1cnnc(NCC2COC2)c1
InChIInChI=1S/C11H15N3O/c1-8(2)10-3-11(14-13-5-10)12-4-9-6-15-7-9/h3,5,9H,1,4,6-7H2,2H3,(H,12,14)
InChIKeyBOXPBRICBMGNEI-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.57
Rot. Bonds4

About N-(oxetan-3-ylmethyl)-5-prop-1-en-2-ylpyridazin-3-amine

N-(oxetan-3-ylmethyl)-5-prop-1-en-2-ylpyridazin-3-amine (PubChem CID 168929653) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is N-(oxetan-3-ylmethyl)-5-prop-1-en-2-ylpyridazin-3-amine.

Molecular Properties

Compound NameN-(oxetan-3-ylmethyl)-5-prop-1-en-2-ylpyridazin-3-amine
PubChem CID168929653
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC NameN-(oxetan-3-ylmethyl)-5-prop-1-en-2-ylpyridazin-3-amine
SMILESC=C(C)c1cnnc(NCC2COC2)c1
InChIInChI=1S/C11H15N3O/c1-8(2)10-3-11(14-13-5-10)12-4-9-6-15-7-9/h3,5,9H,1,4,6-7H2,2H3,(H,12,14)
InChIKeyBOXPBRICBMGNEI-UHFFFAOYSA-N
XLogP1.57
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclohexylmethyl)-5-methylpyridazin-3-amine
CID 106549505
ethane;N-(oxetan-3-ylmethyl)-4-propan-2-ylpyridin-2-amine
CID 168930336
ethane;N-(oxetan-3-ylmethyl)-4-propan-2-ylpyridin-2-amine
CID 168930732
N-(1,4-dioxan-2-ylmethyl)-5-methylpyridazin-3-amine
CID 106549581
N-[(4-chlorocyclohexyl)methyl]-5-methylpyridazin-3-amine
CID 106125783
N-[(3-aminocyclopentyl)methyl]-5-methylpyridazin-3-amine
CID 106127034
5-methyl-N-(3-methylbut-3-enyl)pyridazin-3-amine
CID 130908778
N-(cyclopentylmethyl)-5-(4-methylpiperazin-1-yl)pyridazin-3-amine
CID 58227329
5-methyl-2-N-(oxolan-3-ylmethyl)pyridine-2,4-diamine
CID 83265537
[2-[[(5-methylpyridazin-3-yl)amino]methyl]cyclopentyl]methanol
CID 106549836
ethane;N-(5-propan-2-ylpyridazin-3-yl)oxetane-3-carboxamide
CID 168929628
2-(oxolan-3-ylmethylamino)-6-propylpyridine-4-carboxylic acid
CID 113380250

Frequently Asked Questions

What is the IUPAC name of N-(oxetan-3-ylmethyl)-5-prop-1-en-2-ylpyridazin-3-amine?
The IUPAC name of N-(oxetan-3-ylmethyl)-5-prop-1-en-2-ylpyridazin-3-amine (CID 168929653) is N-(oxetan-3-ylmethyl)-5-prop-1-en-2-ylpyridazin-3-amine.
What is the SMILES notation for N-(oxetan-3-ylmethyl)-5-prop-1-en-2-ylpyridazin-3-amine?
The canonical SMILES for N-(oxetan-3-ylmethyl)-5-prop-1-en-2-ylpyridazin-3-amine is C=C(C)c1cnnc(NCC2COC2)c1.
What is the InChIKey of N-(oxetan-3-ylmethyl)-5-prop-1-en-2-ylpyridazin-3-amine?
The InChIKey is BOXPBRICBMGNEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-8(2)10-3-11(14-13-5-10)12-4-9-6-15-7-9/h3,5,9H,1,4,6-7H2,2H3,(H,12,14).
What are the key properties of N-(oxetan-3-ylmethyl)-5-prop-1-en-2-ylpyridazin-3-amine?
N-(oxetan-3-ylmethyl)-5-prop-1-en-2-ylpyridazin-3-amine has a molecular weight of 205.26 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxetan-3-ylmethyl)-5-prop-1-en-2-ylpyridazin-3-amine is sourced from PubChem (CID 168929653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).