N-(3-methylbut-1-en-2-yl)-5-propan-2-ylpyridazin-3-amine

C12H19N3 — CID 89296687

IUPACN-(3-methylbut-1-en-2-yl)-5-propan-2-ylpyridazin-3-amine
SMILESC=C(Nc1cc(C(C)C)cnn1)C(C)C
InChIInChI=1S/C12H19N3/c1-8(2)10(5)14-12-6-11(9(3)4)7-13-15-12/h6-9H,5H2,1-4H3,(H,14,15)
InChIKeyAJANIJJXDOEQTB-UHFFFAOYSA-N
MW205.30 g/mol
LogP3.18
Rot. Bonds4

About N-(3-methylbut-1-en-2-yl)-5-propan-2-ylpyridazin-3-amine

N-(3-methylbut-1-en-2-yl)-5-propan-2-ylpyridazin-3-amine (PubChem CID 89296687) has the molecular formula C12H19N3 and a molecular weight of 205.30 g/mol. Its IUPAC name is N-(3-methylbut-1-en-2-yl)-5-propan-2-ylpyridazin-3-amine.

Molecular Properties

Compound NameN-(3-methylbut-1-en-2-yl)-5-propan-2-ylpyridazin-3-amine
PubChem CID89296687
Molecular FormulaC12H19N3
Molecular Weight205.30 g/mol
Exact Mass205.16
IUPAC NameN-(3-methylbut-1-en-2-yl)-5-propan-2-ylpyridazin-3-amine
SMILESC=C(Nc1cc(C(C)C)cnn1)C(C)C
InChIInChI=1S/C12H19N3/c1-8(2)10(5)14-12-6-11(9(3)4)7-13-15-12/h6-9H,5H2,1-4H3,(H,14,15)
InChIKeyAJANIJJXDOEQTB-UHFFFAOYSA-N
XLogP3.18
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3-methylbut-1-en-2-yl)-5-propan-2-ylpyridazin-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

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbut-1-en-2-yl)-5-propan-2-ylpyridazin-3-amine?
The IUPAC name of N-(3-methylbut-1-en-2-yl)-5-propan-2-ylpyridazin-3-amine (CID 89296687) is N-(3-methylbut-1-en-2-yl)-5-propan-2-ylpyridazin-3-amine.
What is the SMILES notation for N-(3-methylbut-1-en-2-yl)-5-propan-2-ylpyridazin-3-amine?
The canonical SMILES for N-(3-methylbut-1-en-2-yl)-5-propan-2-ylpyridazin-3-amine is C=C(Nc1cc(C(C)C)cnn1)C(C)C.
What is the InChIKey of N-(3-methylbut-1-en-2-yl)-5-propan-2-ylpyridazin-3-amine?
The InChIKey is AJANIJJXDOEQTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-8(2)10(5)14-12-6-11(9(3)4)7-13-15-12/h6-9H,5H2,1-4H3,(H,14,15).
What are the key properties of N-(3-methylbut-1-en-2-yl)-5-propan-2-ylpyridazin-3-amine?
N-(3-methylbut-1-en-2-yl)-5-propan-2-ylpyridazin-3-amine has a molecular weight of 205.30 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbut-1-en-2-yl)-5-propan-2-ylpyridazin-3-amine is sourced from PubChem (CID 89296687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).