6-tert-butylpyridazin-4-amine

C8H13N3 — CID 117127127

IUPAC6-tert-butylpyridazin-4-amine
SMILESCC(C)(C)c1cc(N)cnn1
InChIInChI=1S/C8H13N3/c1-8(2,3)7-4-6(9)5-10-11-7/h4-5H,1-3H3,(H2,9,11)
InChIKeyZMAUWTLMJUPOAB-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.36
Rot. Bonds

About 6-tert-butylpyridazin-4-amine

6-tert-butylpyridazin-4-amine (PubChem CID 117127127) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is 6-tert-butylpyridazin-4-amine.

Molecular Properties

Compound Name6-tert-butylpyridazin-4-amine
PubChem CID117127127
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name6-tert-butylpyridazin-4-amine
SMILESCC(C)(C)c1cc(N)cnn1
InChIInChI=1S/C8H13N3/c1-8(2,3)7-4-6(9)5-10-11-7/h4-5H,1-3H3,(H2,9,11)
InChIKeyZMAUWTLMJUPOAB-UHFFFAOYSA-N
XLogP1.36
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.36
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
3,5-Dimethylpyridazine
CID 13262523
Pyridazine, 4-ethyl-6-methyl-
CID 15054356
3,6-Dimethylpyridazin-4-amine
CID 252956
3,6-Dimethylpyridazin-4-amine hydrochloride
CID 75481251
5-Aminopyridazine-3-carbonitrile
CID 131288366
4-Aminopyridazine-3-carbonitrile
CID 6415966
3-Isopropylpyridazine
CID 12440034
3-Phenylpyridazin-4-amine
CID 13068494

Frequently Asked Questions

What is the IUPAC name of 6-tert-butylpyridazin-4-amine?
The IUPAC name of 6-tert-butylpyridazin-4-amine (CID 117127127) is 6-tert-butylpyridazin-4-amine.
What is the SMILES notation for 6-tert-butylpyridazin-4-amine?
The canonical SMILES for 6-tert-butylpyridazin-4-amine is CC(C)(C)c1cc(N)cnn1.
What is the InChIKey of 6-tert-butylpyridazin-4-amine?
The InChIKey is ZMAUWTLMJUPOAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3/c1-8(2,3)7-4-6(9)5-10-11-7/h4-5H,1-3H3,(H2,9,11).
What are the key properties of 6-tert-butylpyridazin-4-amine?
6-tert-butylpyridazin-4-amine has a molecular weight of 151.21 g/mol, XLogP of 1.36, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butylpyridazin-4-amine is sourced from PubChem (CID 117127127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).