3-N-(2-methylprop-2-enyl)pyridazine-3,6-diamine

C8H12N4 — CID 114619402

IUPAC3-N-(2-methylprop-2-enyl)pyridazine-3,6-diamine
SMILESC=C(C)CNc1ccc(N)nn1
InChIInChI=1S/C8H12N4/c1-6(2)5-10-8-4-3-7(9)11-12-8/h3-4H,1,5H2,2H3,(H2,9,11)(H,10,12)
InChIKeyAUCRZMYXGWIGDB-UHFFFAOYSA-N
MW164.21 g/mol
LogP1.05
Rot. Bonds3

About 3-N-(2-methylprop-2-enyl)pyridazine-3,6-diamine

3-N-(2-methylprop-2-enyl)pyridazine-3,6-diamine (PubChem CID 114619402) has the molecular formula C8H12N4 and a molecular weight of 164.21 g/mol. Its IUPAC name is 3-N-(2-methylprop-2-enyl)pyridazine-3,6-diamine.

Molecular Properties

Compound Name3-N-(2-methylprop-2-enyl)pyridazine-3,6-diamine
PubChem CID114619402
Molecular FormulaC8H12N4
Molecular Weight164.21 g/mol
Exact Mass164.11
IUPAC Name3-N-(2-methylprop-2-enyl)pyridazine-3,6-diamine
SMILESC=C(C)CNc1ccc(N)nn1
InChIInChI=1S/C8H12N4/c1-6(2)5-10-8-4-3-7(9)11-12-8/h3-4H,1,5H2,2H3,(H2,9,11)(H,10,12)
InChIKeyAUCRZMYXGWIGDB-UHFFFAOYSA-N
XLogP1.05
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-N-(2-methoxypropyl)pyridazine-3,6-diamine
CID 102701751
6-(2-methylprop-2-enylamino)pyrazine-2-carboxamide
CID 131041383
2-N,4-N-bis(2-methylprop-2-enyl)pyrimidine-2,4-diamine
CID 139612143
N-(2-methylprop-2-enyl)aniline;hydrochloride
CID 86147547
2-(2-methylprop-2-enylamino)pyridine-4-carboxylic acid
CID 114617456
3-[(6-aminopyridazin-3-yl)amino]-3-methylpentan-1-ol
CID 106174456
1-ethyl-N-(2-methylprop-2-enyl)pyrazol-3-amine
CID 130496222
1-[(6-methylpyridazin-3-yl)amino]propan-2-one
CID 116972083
4-N-benzyl-2-N-(2-methylprop-2-enyl)-1,3,5-triazine-2,4,6-triamine
CID 54014902
3-[[(6-aminopyridazin-3-yl)amino]methyl]cyclopentan-1-ol
CID 106137884
3-N-hex-5-ynylpyridazine-3,6-diamine
CID 106215719
pyridazine-3,6-diamine;hydrochloride
CID 71777645

Frequently Asked Questions

What is the IUPAC name of 3-N-(2-methylprop-2-enyl)pyridazine-3,6-diamine?
The IUPAC name of 3-N-(2-methylprop-2-enyl)pyridazine-3,6-diamine (CID 114619402) is 3-N-(2-methylprop-2-enyl)pyridazine-3,6-diamine.
What is the SMILES notation for 3-N-(2-methylprop-2-enyl)pyridazine-3,6-diamine?
The canonical SMILES for 3-N-(2-methylprop-2-enyl)pyridazine-3,6-diamine is C=C(C)CNc1ccc(N)nn1.
What is the InChIKey of 3-N-(2-methylprop-2-enyl)pyridazine-3,6-diamine?
The InChIKey is AUCRZMYXGWIGDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4/c1-6(2)5-10-8-4-3-7(9)11-12-8/h3-4H,1,5H2,2H3,(H2,9,11)(H,10,12).
What are the key properties of 3-N-(2-methylprop-2-enyl)pyridazine-3,6-diamine?
3-N-(2-methylprop-2-enyl)pyridazine-3,6-diamine has a molecular weight of 164.21 g/mol, XLogP of 1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-methylprop-2-enyl)pyridazine-3,6-diamine is sourced from PubChem (CID 114619402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).