1-(6-chloro-4,5-dimethylpyridazin-3-yl)-2-ethylazepane

C14H22ClN3 — CID 104691054

IUPAC1-(6-chloro-4,5-dimethylpyridazin-3-yl)-2-ethylazepane
SMILESCCC1CCCCCN1c1nnc(Cl)c(C)c1C
InChIInChI=1S/C14H22ClN3/c1-4-12-8-6-5-7-9-18(12)14-11(3)10(2)13(15)16-17-14/h12H,4-9H2,1-3H3
InChIKeyAEBUYEPDYSDGTD-UHFFFAOYSA-N
MW267.80 g/mol
LogP3.91
Rot. Bonds2

About 1-(6-chloro-4,5-dimethylpyridazin-3-yl)-2-ethylazepane

1-(6-chloro-4,5-dimethylpyridazin-3-yl)-2-ethylazepane (PubChem CID 104691054) has the molecular formula C14H22ClN3 and a molecular weight of 267.80 g/mol. Its IUPAC name is 1-(6-chloro-4,5-dimethylpyridazin-3-yl)-2-ethylazepane.

Molecular Properties

Compound Name1-(6-chloro-4,5-dimethylpyridazin-3-yl)-2-ethylazepane
PubChem CID104691054
Molecular FormulaC14H22ClN3
Molecular Weight267.80 g/mol
Exact Mass267.15
IUPAC Name1-(6-chloro-4,5-dimethylpyridazin-3-yl)-2-ethylazepane
SMILESCCC1CCCCCN1c1nnc(Cl)c(C)c1C
InChIInChI=1S/C14H22ClN3/c1-4-12-8-6-5-7-9-18(12)14-11(3)10(2)13(15)16-17-14/h12H,4-9H2,1-3H3
InChIKeyAEBUYEPDYSDGTD-UHFFFAOYSA-N
XLogP3.91
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-4-(2-ethylazepan-1-yl)-1,2,5-thiadiazole
CID 104691103
3-chloro-6-(2-cyclopentylpyrrolidin-1-yl)-4,5-dimethylpyridazine
CID 63271560
3-chloro-6-(3-ethylpiperidin-1-yl)-4,5-dimethylpyridazine
CID 63271977
N-ethyl-6-(2-ethylazepan-1-yl)-2,5-dimethylpyrimidin-4-amine
CID 104693040
[6-(2-ethylazepan-1-yl)-2,5-dimethylpyrimidin-4-yl]hydrazine
CID 113442067
[5-chloro-6-(2-ethylazepan-1-yl)-3-pyridinyl]methanol
CID 104691283
5-chloro-N-ethyl-4-(2-ethylazepan-1-yl)pyrimidin-2-amine
CID 104693085
5-chloro-6-(2-ethylazepan-1-yl)pyridine-3-carboxylic acid
CID 104690120
4-chloro-6-(2-ethylpyrrolidin-1-yl)-2-methylpyrimidine-5-carbaldehyde
CID 80733265
2-(6-chloro-4,5-dimethylpyridazin-3-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79925334
2-chloro-4-(2-ethylpyrrolidin-1-yl)-5-methylpyrimidine
CID 79075237
2-(1-chloroethyl)-5-(2-ethylazepan-1-yl)-1,3,4-oxadiazole
CID 106958564

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-4,5-dimethylpyridazin-3-yl)-2-ethylazepane?
The IUPAC name of 1-(6-chloro-4,5-dimethylpyridazin-3-yl)-2-ethylazepane (CID 104691054) is 1-(6-chloro-4,5-dimethylpyridazin-3-yl)-2-ethylazepane.
What is the SMILES notation for 1-(6-chloro-4,5-dimethylpyridazin-3-yl)-2-ethylazepane?
The canonical SMILES for 1-(6-chloro-4,5-dimethylpyridazin-3-yl)-2-ethylazepane is CCC1CCCCCN1c1nnc(Cl)c(C)c1C.
What is the InChIKey of 1-(6-chloro-4,5-dimethylpyridazin-3-yl)-2-ethylazepane?
The InChIKey is AEBUYEPDYSDGTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3/c1-4-12-8-6-5-7-9-18(12)14-11(3)10(2)13(15)16-17-14/h12H,4-9H2,1-3H3.
What are the key properties of 1-(6-chloro-4,5-dimethylpyridazin-3-yl)-2-ethylazepane?
1-(6-chloro-4,5-dimethylpyridazin-3-yl)-2-ethylazepane has a molecular weight of 267.80 g/mol, XLogP of 3.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-4,5-dimethylpyridazin-3-yl)-2-ethylazepane is sourced from PubChem (CID 104691054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).