3-(propylamino)pyridazine-4-carboximidamide

C8H13N5 — CID 80513462

IUPAC3-(propylamino)pyridazine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnnc1NCCC
InChIInChI=1S/C8H13N5/c1-2-4-11-8-6(7(9)10)3-5-12-13-8/h3,5H,2,4H2,1H3,(H3,9,10)(H,11,13)
InChIKeyCQWKWMLXIBBTHL-UHFFFAOYSA-N
MW179.23 g/mol
LogP0.58
Rot. Bonds4

About 3-(propylamino)pyridazine-4-carboximidamide

3-(propylamino)pyridazine-4-carboximidamide (PubChem CID 80513462) has the molecular formula C8H13N5 and a molecular weight of 179.23 g/mol. Its IUPAC name is 3-(propylamino)pyridazine-4-carboximidamide.

Molecular Properties

Compound Name3-(propylamino)pyridazine-4-carboximidamide
PubChem CID80513462
Molecular FormulaC8H13N5
Molecular Weight179.23 g/mol
Exact Mass179.12
IUPAC Name3-(propylamino)pyridazine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnnc1NCCC
InChIInChI=1S/C8H13N5/c1-2-4-11-8-6(7(9)10)3-5-12-13-8/h3,5H,2,4H2,1H3,(H3,9,10)(H,11,13)
InChIKeyCQWKWMLXIBBTHL-UHFFFAOYSA-N
XLogP0.58
TPSA87.68 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.23
LogP ≤ 50.58
H-Bond Donors ≤ 53
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-(pentylamino)pyridazine-4-carbothioamide
CID 80510880
3-methoxypyridazine-4-carboximidamide
CID 80514231
3-[methyl(propan-2-yl)amino]pyridazine-4-carboximidamide
CID 80512957
3-(hexylamino)pyridazine-4-carboxylic acid
CID 80516727
3-(decylamino)pyridazine-4-carboxylic acid
CID 80517368
3-[cyclopropylmethyl(propyl)amino]pyridazine-4-carboximidamide
CID 80513562
3-[methyl(4-methylpentan-2-yl)amino]pyridazine-4-carboximidamide
CID 80513543
3-[2-ethoxyethyl(methyl)amino]pyridazine-4-carboximidamide
CID 81056507
3-[cyclopentylmethyl(methyl)amino]pyridazine-4-carboximidamide
CID 80513486
3-[cyclopentyl(methyl)amino]pyridazine-4-carboximidamide
CID 80513212
3-(3,5-dimethoxyphenoxy)pyridazine-4-carboximidamide
CID 80514150
3-[2-(diethylamino)ethylamino]pyridazine-4-carboxylic acid
CID 80517538

Frequently Asked Questions

What is the IUPAC name of 3-(propylamino)pyridazine-4-carboximidamide?
The IUPAC name of 3-(propylamino)pyridazine-4-carboximidamide (CID 80513462) is 3-(propylamino)pyridazine-4-carboximidamide.
What is the SMILES notation for 3-(propylamino)pyridazine-4-carboximidamide?
The canonical SMILES for 3-(propylamino)pyridazine-4-carboximidamide is [H]/N=C(\N)c1ccnnc1NCCC.
What is the InChIKey of 3-(propylamino)pyridazine-4-carboximidamide?
The InChIKey is CQWKWMLXIBBTHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5/c1-2-4-11-8-6(7(9)10)3-5-12-13-8/h3,5H,2,4H2,1H3,(H3,9,10)(H,11,13).
What are the key properties of 3-(propylamino)pyridazine-4-carboximidamide?
3-(propylamino)pyridazine-4-carboximidamide has a molecular weight of 179.23 g/mol, XLogP of 0.58, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(propylamino)pyridazine-4-carboximidamide is sourced from PubChem (CID 80513462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).