N-(1,4-dioxan-2-ylmethyl)-5-methylpyridazin-3-amine

C10H15N3O2 — CID 106549581

IUPACN-(1,4-dioxan-2-ylmethyl)-5-methylpyridazin-3-amine
SMILESCc1cnnc(NCC2COCCO2)c1
InChIInChI=1S/C10H15N3O2/c1-8-4-10(13-12-5-8)11-6-9-7-14-2-3-15-9/h4-5,9H,2-3,6-7H2,1H3,(H,11,13)
InChIKeyZVXPDNGRJZKEGO-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.61
Rot. Bonds3

About N-(1,4-dioxan-2-ylmethyl)-5-methylpyridazin-3-amine

N-(1,4-dioxan-2-ylmethyl)-5-methylpyridazin-3-amine (PubChem CID 106549581) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is N-(1,4-dioxan-2-ylmethyl)-5-methylpyridazin-3-amine.

Molecular Properties

Compound NameN-(1,4-dioxan-2-ylmethyl)-5-methylpyridazin-3-amine
PubChem CID106549581
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC NameN-(1,4-dioxan-2-ylmethyl)-5-methylpyridazin-3-amine
SMILESCc1cnnc(NCC2COCCO2)c1
InChIInChI=1S/C10H15N3O2/c1-8-4-10(13-12-5-8)11-6-9-7-14-2-3-15-9/h4-5,9H,2-3,6-7H2,1H3,(H,11,13)
InChIKeyZVXPDNGRJZKEGO-UHFFFAOYSA-N
XLogP0.61
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-N-(morpholin-2-ylmethyl)pyridazin-3-amine
CID 106550259
3-bromo-N-(1,4-dioxan-2-ylmethyl)-5-methylpyridin-2-amine
CID 105366774
N-(1,4-dioxan-2-ylmethyl)quinoxalin-2-amine
CID 47292946
methyl 4-(1,4-dioxan-2-ylmethylamino)-6-methylpyrimidine-2-carboxylate
CID 66287050
5-methyl-N-[(2-methylcyclopentyl)methyl]pyridazin-3-amine
CID 107419285
N-[(4-chlorocyclohexyl)methyl]-5-methylpyridazin-3-amine
CID 106125783
4-N-(1,4-dioxan-2-ylmethyl)-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80967954
4-N-(1,4-dioxan-2-ylmethyl)-6-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770987
6-chloro-N-(1,4-dioxan-2-ylmethyl)-2-methylsulfanylpyrimidin-4-amine
CID 80545295
4-N-(1,4-dioxan-2-ylmethyl)-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine
CID 80797035
N-(1,4-dioxan-2-ylmethyl)-6-propoxypyrimidin-4-amine
CID 66328979
2-(1,4-dioxan-2-ylmethylamino)pyridine-4-carbothioamide
CID 54908352

Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxan-2-ylmethyl)-5-methylpyridazin-3-amine?
The IUPAC name of N-(1,4-dioxan-2-ylmethyl)-5-methylpyridazin-3-amine (CID 106549581) is N-(1,4-dioxan-2-ylmethyl)-5-methylpyridazin-3-amine.
What is the SMILES notation for N-(1,4-dioxan-2-ylmethyl)-5-methylpyridazin-3-amine?
The canonical SMILES for N-(1,4-dioxan-2-ylmethyl)-5-methylpyridazin-3-amine is Cc1cnnc(NCC2COCCO2)c1.
What is the InChIKey of N-(1,4-dioxan-2-ylmethyl)-5-methylpyridazin-3-amine?
The InChIKey is ZVXPDNGRJZKEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-8-4-10(13-12-5-8)11-6-9-7-14-2-3-15-9/h4-5,9H,2-3,6-7H2,1H3,(H,11,13).
What are the key properties of N-(1,4-dioxan-2-ylmethyl)-5-methylpyridazin-3-amine?
N-(1,4-dioxan-2-ylmethyl)-5-methylpyridazin-3-amine has a molecular weight of 209.25 g/mol, XLogP of 0.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxan-2-ylmethyl)-5-methylpyridazin-3-amine is sourced from PubChem (CID 106549581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).