3-[methyl(oxolan-2-ylmethyl)amino]pyridazine-4-carboximidamide

C11H17N5O — CID 80513387

IUPAC3-[methyl(oxolan-2-ylmethyl)amino]pyridazine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnnc1N(C)CC1CCCO1
InChIInChI=1S/C11H17N5O/c1-16(7-8-3-2-6-17-8)11-9(10(12)13)4-5-14-15-11/h4-5,8H,2-3,6-7H2,1H3,(H3,12,13)
InChIKeyWNOZQUOYHGZBSR-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.38
Rot. Bonds4

About 3-[methyl(oxolan-2-ylmethyl)amino]pyridazine-4-carboximidamide

3-[methyl(oxolan-2-ylmethyl)amino]pyridazine-4-carboximidamide (PubChem CID 80513387) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is 3-[methyl(oxolan-2-ylmethyl)amino]pyridazine-4-carboximidamide.

Molecular Properties

Compound Name3-[methyl(oxolan-2-ylmethyl)amino]pyridazine-4-carboximidamide
PubChem CID80513387
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC Name3-[methyl(oxolan-2-ylmethyl)amino]pyridazine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnnc1N(C)CC1CCCO1
InChIInChI=1S/C11H17N5O/c1-16(7-8-3-2-6-17-8)11-9(10(12)13)4-5-14-15-11/h4-5,8H,2-3,6-7H2,1H3,(H3,12,13)
InChIKeyWNOZQUOYHGZBSR-UHFFFAOYSA-N
XLogP0.38
TPSA88.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-[cyclopentylmethyl(methyl)amino]pyridazine-4-carboximidamide
CID 80513486
4-methyl-2-[methyl(oxolan-2-ylmethyl)amino]benzenecarboximidamide
CID 55057250
4-[methyl(oxolan-2-ylmethyl)amino]benzenecarboximidamide
CID 55152264
3-[cyclopentyl(methyl)amino]pyridazine-4-carboximidamide
CID 80513212
3-methyl-4-[methyl(oxolan-2-ylmethyl)amino]benzenecarboximidamide
CID 61432084
5-chloro-2-[methyl(oxan-2-ylmethyl)amino]benzenecarboximidamide
CID 62493777
3-[2-ethoxyethyl(methyl)amino]pyridazine-4-carboximidamide
CID 81056507
5-[methyl(oxan-2-ylmethyl)amino]pyridine-2-carboximidamide
CID 113321204
3-[cyclopropylmethyl(propyl)amino]pyridazine-4-carboximidamide
CID 80513562
3-[(5-chlorothiophen-2-yl)methyl-methylamino]pyridazine-4-carboximidamide
CID 80513541
3-[[ethyl(oxolan-2-ylmethyl)amino]methyl]pyridine-2-carboximidamide
CID 62893872
3-[methyl(4-methylpentan-2-yl)amino]pyridazine-4-carboximidamide
CID 80513543

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(oxolan-2-ylmethyl)amino]pyridazine-4-carboximidamide?
The IUPAC name of 3-[methyl(oxolan-2-ylmethyl)amino]pyridazine-4-carboximidamide (CID 80513387) is 3-[methyl(oxolan-2-ylmethyl)amino]pyridazine-4-carboximidamide.
What is the SMILES notation for 3-[methyl(oxolan-2-ylmethyl)amino]pyridazine-4-carboximidamide?
The canonical SMILES for 3-[methyl(oxolan-2-ylmethyl)amino]pyridazine-4-carboximidamide is [H]/N=C(\N)c1ccnnc1N(C)CC1CCCO1.
What is the InChIKey of 3-[methyl(oxolan-2-ylmethyl)amino]pyridazine-4-carboximidamide?
The InChIKey is WNOZQUOYHGZBSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O/c1-16(7-8-3-2-6-17-8)11-9(10(12)13)4-5-14-15-11/h4-5,8H,2-3,6-7H2,1H3,(H3,12,13).
What are the key properties of 3-[methyl(oxolan-2-ylmethyl)amino]pyridazine-4-carboximidamide?
3-[methyl(oxolan-2-ylmethyl)amino]pyridazine-4-carboximidamide has a molecular weight of 235.29 g/mol, XLogP of 0.38, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(oxolan-2-ylmethyl)amino]pyridazine-4-carboximidamide is sourced from PubChem (CID 80513387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).