2-[2-(pyridazin-3-ylamino)ethyl]guanidine

C7H12N6 — CID 130785372

IUPAC2-[2-(pyridazin-3-ylamino)ethyl]guanidine
SMILESNC(N)=NCCNc1cccnn1
InChIInChI=1S/C7H12N6/c8-7(9)11-5-4-10-6-2-1-3-12-13-6/h1-3H,4-5H2,(H,10,13)(H4,8,9,11)
InChIKeyQTUWATXCIWWXSM-UHFFFAOYSA-N
MW180.22 g/mol
LogP-0.84
Rot. Bonds4

About 2-[2-(pyridazin-3-ylamino)ethyl]guanidine

2-[2-(pyridazin-3-ylamino)ethyl]guanidine (PubChem CID 130785372) has the molecular formula C7H12N6 and a molecular weight of 180.22 g/mol. Its IUPAC name is 2-[2-(pyridazin-3-ylamino)ethyl]guanidine.

Molecular Properties

Compound Name2-[2-(pyridazin-3-ylamino)ethyl]guanidine
PubChem CID130785372
Molecular FormulaC7H12N6
Molecular Weight180.22 g/mol
Exact Mass180.11
IUPAC Name2-[2-(pyridazin-3-ylamino)ethyl]guanidine
SMILESNC(N)=NCCNc1cccnn1
InChIInChI=1S/C7H12N6/c8-7(9)11-5-4-10-6-2-1-3-12-13-6/h1-3H,4-5H2,(H,10,13)(H4,8,9,11)
InChIKeyQTUWATXCIWWXSM-UHFFFAOYSA-N
XLogP-0.84
TPSA102.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.22
LogP ≤ 5-0.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[2-(pyridazin-3-ylamino)ethyl]guanidine 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

2-[2-(pyrimidin-2-ylamino)ethyl]guanidine
CID 130723153
2-[2-[(6-nitro-2-pyridinyl)amino]ethyl]guanidine
CID 139990848
tert-butyl N-[2-(pyridazin-3-ylamino)ethyl]carbamate
CID 115657296
N-[(4-aminophenyl)methyl]pyridazin-3-amine
CID 62482247
methyl 3-(pyridazin-3-ylamino)propanoate
CID 62482435
1-(pyridazin-3-ylamino)pentan-3-ol
CID 115702161
3-[2-(pyridazin-3-ylamino)ethyl]cyclobutan-1-ol
CID 130736450
2-tert-butyl-1-pyridazin-3-ylguanidine
CID 11830294
N-(2-cyclobutylethyl)pyridazin-3-amine
CID 115689977
2-hydroxy-3-(pyridazin-3-ylamino)propanamide
CID 106170861
N-(2-cyclopentylethyl)pyridazin-3-amine
CID 62482015
N-[2-(azepan-1-yl)ethyl]pyridazin-3-amine
CID 62482439

Frequently Asked Questions

What is the IUPAC name of 2-[2-(pyridazin-3-ylamino)ethyl]guanidine?
The IUPAC name of 2-[2-(pyridazin-3-ylamino)ethyl]guanidine (CID 130785372) is 2-[2-(pyridazin-3-ylamino)ethyl]guanidine.
What is the SMILES notation for 2-[2-(pyridazin-3-ylamino)ethyl]guanidine?
The canonical SMILES for 2-[2-(pyridazin-3-ylamino)ethyl]guanidine is NC(N)=NCCNc1cccnn1.
What is the InChIKey of 2-[2-(pyridazin-3-ylamino)ethyl]guanidine?
The InChIKey is QTUWATXCIWWXSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N6/c8-7(9)11-5-4-10-6-2-1-3-12-13-6/h1-3H,4-5H2,(H,10,13)(H4,8,9,11).
What are the key properties of 2-[2-(pyridazin-3-ylamino)ethyl]guanidine?
2-[2-(pyridazin-3-ylamino)ethyl]guanidine has a molecular weight of 180.22 g/mol, XLogP of -0.84, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(pyridazin-3-ylamino)ethyl]guanidine is sourced from PubChem (CID 130785372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).