3-butan-2-ylpyridazin-4-amine

C8H13N3 — CID 134560652

IUPAC3-butan-2-ylpyridazin-4-amine
SMILESCCC(C)c1nnccc1N
InChIInChI=1S/C8H13N3/c1-3-6(2)8-7(9)4-5-10-11-8/h4-6H,3H2,1-2H3,(H2,9,10)
InChIKeyQSPQZQKXUXFNKC-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.57
Rot. Bonds2

About 3-butan-2-ylpyridazin-4-amine

3-butan-2-ylpyridazin-4-amine (PubChem CID 134560652) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is 3-butan-2-ylpyridazin-4-amine.

Molecular Properties

Compound Name3-butan-2-ylpyridazin-4-amine
PubChem CID134560652
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name3-butan-2-ylpyridazin-4-amine
SMILESCCC(C)c1nnccc1N
InChIInChI=1S/C8H13N3/c1-3-6(2)8-7(9)4-5-10-11-8/h4-6H,3H2,1-2H3,(H2,9,10)
InChIKeyQSPQZQKXUXFNKC-UHFFFAOYSA-N
XLogP1.57
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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
4-Aminopyridazine-3-carbonitrile
CID 6415966
3-Isopropylpyridazine
CID 12440034
3-Phenylpyridazin-4-amine
CID 13068494
3-(tert-Butyl)pyridazine
CID 15855507
Pyridazinodiazepine
CID 66823966
Aminophenyltriazine
CID 69637671
6-[3-(Trifluoromethyl)phenyl]-4-pyridazinamine
CID 19959675
3-Methylpyridazin-4-amine
CID 54075962

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-ylpyridazin-4-amine?
The IUPAC name of 3-butan-2-ylpyridazin-4-amine (CID 134560652) is 3-butan-2-ylpyridazin-4-amine.
What is the SMILES notation for 3-butan-2-ylpyridazin-4-amine?
The canonical SMILES for 3-butan-2-ylpyridazin-4-amine is CCC(C)c1nnccc1N.
What is the InChIKey of 3-butan-2-ylpyridazin-4-amine?
The InChIKey is QSPQZQKXUXFNKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3/c1-3-6(2)8-7(9)4-5-10-11-8/h4-6H,3H2,1-2H3,(H2,9,10).
What are the key properties of 3-butan-2-ylpyridazin-4-amine?
3-butan-2-ylpyridazin-4-amine has a molecular weight of 151.21 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-ylpyridazin-4-amine is sourced from PubChem (CID 134560652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).