N-but-3-ynyl-5-methylpyridazin-3-amine

C9H11N3 — CID 106549778

IUPACN-but-3-ynyl-5-methylpyridazin-3-amine
SMILESC#CCCNc1cc(C)cnn1
InChIInChI=1S/C9H11N3/c1-3-4-5-10-9-6-8(2)7-11-12-9/h1,6-7H,4-5H2,2H3,(H,10,12)
InChIKeyHPUZWWVEDJXMRC-UHFFFAOYSA-N
MW161.21 g/mol
LogP1.22
Rot. Bonds3

About N-but-3-ynyl-5-methylpyridazin-3-amine

N-but-3-ynyl-5-methylpyridazin-3-amine (PubChem CID 106549778) has the molecular formula C9H11N3 and a molecular weight of 161.21 g/mol. Its IUPAC name is N-but-3-ynyl-5-methylpyridazin-3-amine.

Molecular Properties

Compound NameN-but-3-ynyl-5-methylpyridazin-3-amine
PubChem CID106549778
Molecular FormulaC9H11N3
Molecular Weight161.21 g/mol
Exact Mass161.10
IUPAC NameN-but-3-ynyl-5-methylpyridazin-3-amine
SMILESC#CCCNc1cc(C)cnn1
InChIInChI=1S/C9H11N3/c1-3-4-5-10-9-6-8(2)7-11-12-9/h1,6-7H,4-5H2,2H3,(H,10,12)
InChIKeyHPUZWWVEDJXMRC-UHFFFAOYSA-N
XLogP1.22
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.21
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-but-3-ynyl-5-methylpyridazin-3-amine 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

5-methyl-N-pent-4-ynylpyridazin-3-amine
CID 106222465
5-methyl-N-pent-3-ynylpyridazin-3-amine
CID 106550017
5-methyl-N-(2-prop-2-ynylsulfanylethyl)pyridazin-3-amine
CID 106430681
N'-(5-methylpyridazin-3-yl)propane-1,3-diamine
CID 106549356
N'-(5-methylpyridazin-3-yl)pentane-1,5-diamine
CID 107323443
5-methyl-N-(3-methylbut-3-enyl)pyridazin-3-amine
CID 130908778
N'-(5-methylpyridazin-3-yl)hexane-1,6-diamine
CID 107845062
3-[(5-methylpyridazin-3-yl)amino]propane-1-sulfonamide
CID 106549682
N-[2-[(5-methylpyridazin-3-yl)amino]ethyl]acetamide
CID 106549525
N-(2,2-difluoroethyl)-5-methylpyridazin-3-amine
CID 106549890
5-[(5-methylpyridazin-3-yl)amino]pentan-2-ol
CID 106128597
N,2-dimethyl-N'-(5-methylpyridazin-3-yl)propane-1,3-diamine
CID 106550243

Frequently Asked Questions

What is the IUPAC name of N-but-3-ynyl-5-methylpyridazin-3-amine?
The IUPAC name of N-but-3-ynyl-5-methylpyridazin-3-amine (CID 106549778) is N-but-3-ynyl-5-methylpyridazin-3-amine.
What is the SMILES notation for N-but-3-ynyl-5-methylpyridazin-3-amine?
The canonical SMILES for N-but-3-ynyl-5-methylpyridazin-3-amine is C#CCCNc1cc(C)cnn1.
What is the InChIKey of N-but-3-ynyl-5-methylpyridazin-3-amine?
The InChIKey is HPUZWWVEDJXMRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3/c1-3-4-5-10-9-6-8(2)7-11-12-9/h1,6-7H,4-5H2,2H3,(H,10,12).
What are the key properties of N-but-3-ynyl-5-methylpyridazin-3-amine?
N-but-3-ynyl-5-methylpyridazin-3-amine has a molecular weight of 161.21 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-ynyl-5-methylpyridazin-3-amine is sourced from PubChem (CID 106549778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).