3-N-(6-chloro-4,5-dimethylpyridazin-3-yl)-1-N,1-N-dimethylbutane-1,3-diamine

C12H21ClN4 — CID 55168150

IUPAC3-N-(6-chloro-4,5-dimethylpyridazin-3-yl)-1-N,1-N-dimethylbutane-1,3-diamine
SMILESCc1c(Cl)nnc(NC(C)CCN(C)C)c1C
InChIInChI=1S/C12H21ClN4/c1-8(6-7-17(4)5)14-12-10(3)9(2)11(13)15-16-12/h8H,6-7H2,1-5H3,(H,14,16)
InChIKeyOVJVLNGZFOLQQV-UHFFFAOYSA-N
MW256.78 g/mol
LogP2.50
Rot. Bonds5

About 3-N-(6-chloro-4,5-dimethylpyridazin-3-yl)-1-N,1-N-dimethylbutane-1,3-diamine

3-N-(6-chloro-4,5-dimethylpyridazin-3-yl)-1-N,1-N-dimethylbutane-1,3-diamine (PubChem CID 55168150) has the molecular formula C12H21ClN4 and a molecular weight of 256.78 g/mol. Its IUPAC name is 3-N-(6-chloro-4,5-dimethylpyridazin-3-yl)-1-N,1-N-dimethylbutane-1,3-diamine.

Molecular Properties

Compound Name3-N-(6-chloro-4,5-dimethylpyridazin-3-yl)-1-N,1-N-dimethylbutane-1,3-diamine
PubChem CID55168150
Molecular FormulaC12H21ClN4
Molecular Weight256.78 g/mol
Exact Mass256.15
IUPAC Name3-N-(6-chloro-4,5-dimethylpyridazin-3-yl)-1-N,1-N-dimethylbutane-1,3-diamine
SMILESCc1c(Cl)nnc(NC(C)CCN(C)C)c1C
InChIInChI=1S/C12H21ClN4/c1-8(6-7-17(4)5)14-12-10(3)9(2)11(13)15-16-12/h8H,6-7H2,1-5H3,(H,14,16)
InChIKeyOVJVLNGZFOLQQV-UHFFFAOYSA-N
XLogP2.50
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.78
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-N-(6-chloro-4,5-dimethylpyridazin-3-yl)-1-N,1-N-dimethylbutane-1,3-diamine?
The IUPAC name of 3-N-(6-chloro-4,5-dimethylpyridazin-3-yl)-1-N,1-N-dimethylbutane-1,3-diamine (CID 55168150) is 3-N-(6-chloro-4,5-dimethylpyridazin-3-yl)-1-N,1-N-dimethylbutane-1,3-diamine.
What is the SMILES notation for 3-N-(6-chloro-4,5-dimethylpyridazin-3-yl)-1-N,1-N-dimethylbutane-1,3-diamine?
The canonical SMILES for 3-N-(6-chloro-4,5-dimethylpyridazin-3-yl)-1-N,1-N-dimethylbutane-1,3-diamine is Cc1c(Cl)nnc(NC(C)CCN(C)C)c1C.
What is the InChIKey of 3-N-(6-chloro-4,5-dimethylpyridazin-3-yl)-1-N,1-N-dimethylbutane-1,3-diamine?
The InChIKey is OVJVLNGZFOLQQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21ClN4/c1-8(6-7-17(4)5)14-12-10(3)9(2)11(13)15-16-12/h8H,6-7H2,1-5H3,(H,14,16).
What are the key properties of 3-N-(6-chloro-4,5-dimethylpyridazin-3-yl)-1-N,1-N-dimethylbutane-1,3-diamine?
3-N-(6-chloro-4,5-dimethylpyridazin-3-yl)-1-N,1-N-dimethylbutane-1,3-diamine has a molecular weight of 256.78 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(6-chloro-4,5-dimethylpyridazin-3-yl)-1-N,1-N-dimethylbutane-1,3-diamine is sourced from PubChem (CID 55168150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).