3-[methyl(propan-2-yl)amino]pyridazine-4-carboximidamide

C9H15N5 — CID 80512957

IUPAC3-[methyl(propan-2-yl)amino]pyridazine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnnc1N(C)C(C)C
InChIInChI=1S/C9H15N5/c1-6(2)14(3)9-7(8(10)11)4-5-12-13-9/h4-6H,1-3H3,(H3,10,11)
InChIKeyOOZCQFUYJKTSOK-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.61
Rot. Bonds3

About 3-[methyl(propan-2-yl)amino]pyridazine-4-carboximidamide

3-[methyl(propan-2-yl)amino]pyridazine-4-carboximidamide (PubChem CID 80512957) has the molecular formula C9H15N5 and a molecular weight of 193.25 g/mol. Its IUPAC name is 3-[methyl(propan-2-yl)amino]pyridazine-4-carboximidamide.

Molecular Properties

Compound Name3-[methyl(propan-2-yl)amino]pyridazine-4-carboximidamide
PubChem CID80512957
Molecular FormulaC9H15N5
Molecular Weight193.25 g/mol
Exact Mass193.13
IUPAC Name3-[methyl(propan-2-yl)amino]pyridazine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnnc1N(C)C(C)C
InChIInChI=1S/C9H15N5/c1-6(2)14(3)9-7(8(10)11)4-5-12-13-9/h4-6H,1-3H3,(H3,10,11)
InChIKeyOOZCQFUYJKTSOK-UHFFFAOYSA-N
XLogP0.61
TPSA78.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[methyl(4-methylpentan-2-yl)amino]pyridazine-4-carboximidamide
CID 80513543
3-[cyclopentyl(methyl)amino]pyridazine-4-carboximidamide
CID 80513212
3-[2-ethoxyethyl(methyl)amino]pyridazine-4-carboximidamide
CID 81056507
3-[cyclopentylmethyl(methyl)amino]pyridazine-4-carboximidamide
CID 80513486
3-[cyclopropylmethyl(propyl)amino]pyridazine-4-carboximidamide
CID 80513562
3-methoxypyridazine-4-carboximidamide
CID 80514231
3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyridazine-4-carboximidamide
CID 80513561
3-[methyl(oxolan-2-ylmethyl)amino]pyridazine-4-carboximidamide
CID 80513387
3-[(5-chlorothiophen-2-yl)methyl-methylamino]pyridazine-4-carboximidamide
CID 80513541
3-[cyclopentyl(2-hydroxyethyl)amino]pyridazine-4-carboximidamide
CID 80513497
2-[ethyl(propan-2-yl)amino]pyridine-3-carboximidamide
CID 43265878
2-chloro-4-[methyl(propan-2-yl)amino]benzenecarboximidamide
CID 62947687

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(propan-2-yl)amino]pyridazine-4-carboximidamide?
The IUPAC name of 3-[methyl(propan-2-yl)amino]pyridazine-4-carboximidamide (CID 80512957) is 3-[methyl(propan-2-yl)amino]pyridazine-4-carboximidamide.
What is the SMILES notation for 3-[methyl(propan-2-yl)amino]pyridazine-4-carboximidamide?
The canonical SMILES for 3-[methyl(propan-2-yl)amino]pyridazine-4-carboximidamide is [H]/N=C(\N)c1ccnnc1N(C)C(C)C.
What is the InChIKey of 3-[methyl(propan-2-yl)amino]pyridazine-4-carboximidamide?
The InChIKey is OOZCQFUYJKTSOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5/c1-6(2)14(3)9-7(8(10)11)4-5-12-13-9/h4-6H,1-3H3,(H3,10,11).
What are the key properties of 3-[methyl(propan-2-yl)amino]pyridazine-4-carboximidamide?
3-[methyl(propan-2-yl)amino]pyridazine-4-carboximidamide has a molecular weight of 193.25 g/mol, XLogP of 0.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(propan-2-yl)amino]pyridazine-4-carboximidamide is sourced from PubChem (CID 80512957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).