3-[cyclopentylmethyl(methyl)amino]pyridazine-4-carboximidamide

C12H19N5 — CID 80513486

IUPAC3-[cyclopentylmethyl(methyl)amino]pyridazine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnnc1N(C)CC1CCCC1
InChIInChI=1S/C12H19N5/c1-17(8-9-4-2-3-5-9)12-10(11(13)14)6-7-15-16-12/h6-7,9H,2-5,8H2,1H3,(H3,13,14)
InChIKeyQDMXJYQQNDMZLP-UHFFFAOYSA-N
MW233.32 g/mol
LogP1.39
Rot. Bonds4

About 3-[cyclopentylmethyl(methyl)amino]pyridazine-4-carboximidamide

3-[cyclopentylmethyl(methyl)amino]pyridazine-4-carboximidamide (PubChem CID 80513486) has the molecular formula C12H19N5 and a molecular weight of 233.32 g/mol. Its IUPAC name is 3-[cyclopentylmethyl(methyl)amino]pyridazine-4-carboximidamide.

Molecular Properties

Compound Name3-[cyclopentylmethyl(methyl)amino]pyridazine-4-carboximidamide
PubChem CID80513486
Molecular FormulaC12H19N5
Molecular Weight233.32 g/mol
Exact Mass233.16
IUPAC Name3-[cyclopentylmethyl(methyl)amino]pyridazine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnnc1N(C)CC1CCCC1
InChIInChI=1S/C12H19N5/c1-17(8-9-4-2-3-5-9)12-10(11(13)14)6-7-15-16-12/h6-7,9H,2-5,8H2,1H3,(H3,13,14)
InChIKeyQDMXJYQQNDMZLP-UHFFFAOYSA-N
XLogP1.39
TPSA78.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 51.39
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'}

Analyze 3-[cyclopentylmethyl(methyl)amino]pyridazine-4-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[methyl(oxolan-2-ylmethyl)amino]pyridazine-4-carboximidamide
CID 80513387
3-[cyclopentyl(methyl)amino]pyridazine-4-carboximidamide
CID 80513212
3-[cyclopropylmethyl(propyl)amino]pyridazine-4-carboximidamide
CID 80513562
3-[2-ethoxyethyl(methyl)amino]pyridazine-4-carboximidamide
CID 81056507
3-[methyl(propan-2-yl)amino]pyridazine-4-carboximidamide
CID 80512957
3-[cyclopentyl(2-hydroxyethyl)amino]pyridazine-4-carboximidamide
CID 80513497
4-[[cyclopentylmethyl(methyl)amino]methyl]benzenecarboximidamide
CID 63632817
2-[cyclohexylmethyl(methyl)amino]-5-fluorobenzenecarboximidamide
CID 63669000
3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyridazine-4-carboximidamide
CID 80513561
4-[[cyclohexylmethyl(methyl)amino]methyl]benzenecarboximidamide
CID 61446374
3-[methyl(4-methylpentan-2-yl)amino]pyridazine-4-carboximidamide
CID 80513543
3-(2-ethylcyclohexyl)oxypyridazine-4-carboximidamide
CID 80514051

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopentylmethyl(methyl)amino]pyridazine-4-carboximidamide?
The IUPAC name of 3-[cyclopentylmethyl(methyl)amino]pyridazine-4-carboximidamide (CID 80513486) is 3-[cyclopentylmethyl(methyl)amino]pyridazine-4-carboximidamide.
What is the SMILES notation for 3-[cyclopentylmethyl(methyl)amino]pyridazine-4-carboximidamide?
The canonical SMILES for 3-[cyclopentylmethyl(methyl)amino]pyridazine-4-carboximidamide is [H]/N=C(\N)c1ccnnc1N(C)CC1CCCC1.
What is the InChIKey of 3-[cyclopentylmethyl(methyl)amino]pyridazine-4-carboximidamide?
The InChIKey is QDMXJYQQNDMZLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5/c1-17(8-9-4-2-3-5-9)12-10(11(13)14)6-7-15-16-12/h6-7,9H,2-5,8H2,1H3,(H3,13,14).
What are the key properties of 3-[cyclopentylmethyl(methyl)amino]pyridazine-4-carboximidamide?
3-[cyclopentylmethyl(methyl)amino]pyridazine-4-carboximidamide has a molecular weight of 233.32 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopentylmethyl(methyl)amino]pyridazine-4-carboximidamide is sourced from PubChem (CID 80513486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).