3-propan-2-ylpyridazin-4-amine

C7H11N3 — CID 126670512

IUPAC3-propan-2-ylpyridazin-4-amine
SMILESCC(C)c1nnccc1N
InChIInChI=1S/C7H11N3/c1-5(2)7-6(8)3-4-9-10-7/h3-5H,1-2H3,(H2,8,9)
InChIKeyXATJEOQNCUJTET-UHFFFAOYSA-N
MW137.19 g/mol
LogP1.18
Rot. Bonds1

About 3-propan-2-ylpyridazin-4-amine

3-propan-2-ylpyridazin-4-amine (PubChem CID 126670512) has the molecular formula C7H11N3 and a molecular weight of 137.19 g/mol. Its IUPAC name is 3-propan-2-ylpyridazin-4-amine.

Molecular Properties

Compound Name3-propan-2-ylpyridazin-4-amine
PubChem CID126670512
Molecular FormulaC7H11N3
Molecular Weight137.19 g/mol
Exact Mass137.10
IUPAC Name3-propan-2-ylpyridazin-4-amine
SMILESCC(C)c1nnccc1N
InChIInChI=1S/C7H11N3/c1-5(2)7-6(8)3-4-9-10-7/h3-5H,1-2H3,(H2,8,9)
InChIKeyXATJEOQNCUJTET-UHFFFAOYSA-N
XLogP1.18
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.19
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Pyridazin-3-ylmethanamine
CID 22639518
1-(Pyridazin-3-yl)ethan-1-amine
CID 69035378
3-Methylpyridazin-4-amine hydrochloride
CID 71758406
6-Methylpyridazin-4-amine hydrochloride
CID 117100405
6-(Trifluoromethyl)pyridazin-4-amine
CID 117127087
3-Ethylpyridazine
CID 12440033
3,5-Dimethylpyridazine
CID 13262523
Pyridazine, 4-ethyl-6-methyl-
CID 15054356
3-Propylpyridazine
CID 19760644
3,6-Dimethylpyridazin-4-amine
CID 252956
3,6-Dimethylpyridazin-4-amine hydrochloride
CID 75481251
5-Aminopyridazine-3-carbonitrile
CID 131288366

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-ylpyridazin-4-amine?
The IUPAC name of 3-propan-2-ylpyridazin-4-amine (CID 126670512) is 3-propan-2-ylpyridazin-4-amine.
What is the SMILES notation for 3-propan-2-ylpyridazin-4-amine?
The canonical SMILES for 3-propan-2-ylpyridazin-4-amine is CC(C)c1nnccc1N.
What is the InChIKey of 3-propan-2-ylpyridazin-4-amine?
The InChIKey is XATJEOQNCUJTET-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3/c1-5(2)7-6(8)3-4-9-10-7/h3-5H,1-2H3,(H2,8,9).
What are the key properties of 3-propan-2-ylpyridazin-4-amine?
3-propan-2-ylpyridazin-4-amine has a molecular weight of 137.19 g/mol, XLogP of 1.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-ylpyridazin-4-amine is sourced from PubChem (CID 126670512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).