6-butyl-N-ethyl-4,5-dimethylpyridazin-3-amine

C12H21N3 — CID 106659331

IUPAC6-butyl-N-ethyl-4,5-dimethylpyridazin-3-amine
SMILESCCCCc1nnc(NCC)c(C)c1C
InChIInChI=1S/C12H21N3/c1-5-7-8-11-9(3)10(4)12(13-6-2)15-14-11/h5-8H2,1-4H3,(H,13,15)
InChIKeyDUQOUHNCDKULAR-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.87
Rot. Bonds5

About 6-butyl-N-ethyl-4,5-dimethylpyridazin-3-amine

6-butyl-N-ethyl-4,5-dimethylpyridazin-3-amine (PubChem CID 106659331) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 6-butyl-N-ethyl-4,5-dimethylpyridazin-3-amine.

Molecular Properties

Compound Name6-butyl-N-ethyl-4,5-dimethylpyridazin-3-amine
PubChem CID106659331
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name6-butyl-N-ethyl-4,5-dimethylpyridazin-3-amine
SMILESCCCCc1nnc(NCC)c(C)c1C
InChIInChI=1S/C12H21N3/c1-5-7-8-11-9(3)10(4)12(13-6-2)15-14-11/h5-8H2,1-4H3,(H,13,15)
InChIKeyDUQOUHNCDKULAR-UHFFFAOYSA-N
XLogP2.87
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-butyl-N,4,5-trimethylpyridazin-3-amine
CID 106659403
3-butyl-N-ethyl-5,6-dimethylpyrazin-2-amine
CID 106659375
N-ethyl-4,5-dimethyl-6-(pyridin-3-ylmethyl)pyridazin-3-amine
CID 113447077
6-butyl-3,5-dichloro-N-ethylpyridin-2-amine
CID 106659441
N-(4-butylphthalazin-1-yl)hydroxylamine
CID 136951511
4-butyl-3,6-dichloro-5-methylpyridazine
CID 164864335
4-butyl-5-propyl-2H-triazole
CID 69382239
6-N-ethyl-5-methyl-4-N-octylpyrimidine-4,6-diamine
CID 115565379
1,3,5-tributyl-2,4,6-trimethylbenzene
CID 123628431
4,5-dibutyl-2H-triazole
CID 54195681
1,2,3,4,5,6-hexabutylbenzene
CID 12586860
2-N,8-dibutyl-6-N-ethyl-4-N-methylpyrimido[5,4-d]pyrimidine-2,4,6-triamine
CID 148836551

Frequently Asked Questions

What is the IUPAC name of 6-butyl-N-ethyl-4,5-dimethylpyridazin-3-amine?
The IUPAC name of 6-butyl-N-ethyl-4,5-dimethylpyridazin-3-amine (CID 106659331) is 6-butyl-N-ethyl-4,5-dimethylpyridazin-3-amine.
What is the SMILES notation for 6-butyl-N-ethyl-4,5-dimethylpyridazin-3-amine?
The canonical SMILES for 6-butyl-N-ethyl-4,5-dimethylpyridazin-3-amine is CCCCc1nnc(NCC)c(C)c1C.
What is the InChIKey of 6-butyl-N-ethyl-4,5-dimethylpyridazin-3-amine?
The InChIKey is DUQOUHNCDKULAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-5-7-8-11-9(3)10(4)12(13-6-2)15-14-11/h5-8H2,1-4H3,(H,13,15).
What are the key properties of 6-butyl-N-ethyl-4,5-dimethylpyridazin-3-amine?
6-butyl-N-ethyl-4,5-dimethylpyridazin-3-amine has a molecular weight of 207.32 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butyl-N-ethyl-4,5-dimethylpyridazin-3-amine is sourced from PubChem (CID 106659331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).