1-(6-chloropyridazin-3-yl)-4-methyl-1,4-diazepane

C10H15ClN4 — CID 11770177

IUPAC1-(6-chloropyridazin-3-yl)-4-methyl-1,4-diazepane
SMILESCN1CCCN(c2ccc(Cl)nn2)CC1
InChIInChI=1S/C10H15ClN4/c1-14-5-2-6-15(8-7-14)10-4-3-9(11)12-13-10/h3-4H,2,5-8H2,1H3
InChIKeyLRAQITPFWFDXRM-UHFFFAOYSA-N
MW226.71 g/mol
LogP1.27
Rot. Bonds1

About 1-(6-chloropyridazin-3-yl)-4-methyl-1,4-diazepane

1-(6-chloropyridazin-3-yl)-4-methyl-1,4-diazepane (PubChem CID 11770177) has the molecular formula C10H15ClN4 and a molecular weight of 226.71 g/mol. Its IUPAC name is 1-(6-chloropyridazin-3-yl)-4-methyl-1,4-diazepane.

Molecular Properties

Compound Name1-(6-chloropyridazin-3-yl)-4-methyl-1,4-diazepane
PubChem CID11770177
Molecular FormulaC10H15ClN4
Molecular Weight226.71 g/mol
Exact Mass226.10
IUPAC Name1-(6-chloropyridazin-3-yl)-4-methyl-1,4-diazepane
SMILESCN1CCCN(c2ccc(Cl)nn2)CC1
InChIInChI=1S/C10H15ClN4/c1-14-5-2-6-15(8-7-14)10-4-3-9(11)12-13-10/h3-4H,2,5-8H2,1H3
InChIKeyLRAQITPFWFDXRM-UHFFFAOYSA-N
XLogP1.27
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6-chloropyridazin-3-yl)-4-methyl-1,4-diazepane?
The IUPAC name of 1-(6-chloropyridazin-3-yl)-4-methyl-1,4-diazepane (CID 11770177) is 1-(6-chloropyridazin-3-yl)-4-methyl-1,4-diazepane.
What is the SMILES notation for 1-(6-chloropyridazin-3-yl)-4-methyl-1,4-diazepane?
The canonical SMILES for 1-(6-chloropyridazin-3-yl)-4-methyl-1,4-diazepane is CN1CCCN(c2ccc(Cl)nn2)CC1.
What is the InChIKey of 1-(6-chloropyridazin-3-yl)-4-methyl-1,4-diazepane?
The InChIKey is LRAQITPFWFDXRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4/c1-14-5-2-6-15(8-7-14)10-4-3-9(11)12-13-10/h3-4H,2,5-8H2,1H3.
What are the key properties of 1-(6-chloropyridazin-3-yl)-4-methyl-1,4-diazepane?
1-(6-chloropyridazin-3-yl)-4-methyl-1,4-diazepane has a molecular weight of 226.71 g/mol, XLogP of 1.27, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloropyridazin-3-yl)-4-methyl-1,4-diazepane is sourced from PubChem (CID 11770177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).