1-(5-methylpyridazin-3-yl)-1,4-diazepane

C10H16N4 — CID 106549205

IUPAC1-(5-methylpyridazin-3-yl)-1,4-diazepane
SMILESCc1cnnc(N2CCCNCC2)c1
InChIInChI=1S/C10H16N4/c1-9-7-10(13-12-8-9)14-5-2-3-11-4-6-14/h7-8,11H,2-6H2,1H3
InChIKeyCBZRCOMEIGQEHG-UHFFFAOYSA-N
MW192.27 g/mol
LogP0.58
Rot. Bonds1

About 1-(5-methylpyridazin-3-yl)-1,4-diazepane

1-(5-methylpyridazin-3-yl)-1,4-diazepane (PubChem CID 106549205) has the molecular formula C10H16N4 and a molecular weight of 192.27 g/mol. Its IUPAC name is 1-(5-methylpyridazin-3-yl)-1,4-diazepane.

Molecular Properties

Compound Name1-(5-methylpyridazin-3-yl)-1,4-diazepane
PubChem CID106549205
Molecular FormulaC10H16N4
Molecular Weight192.27 g/mol
Exact Mass192.14
IUPAC Name1-(5-methylpyridazin-3-yl)-1,4-diazepane
SMILESCc1cnnc(N2CCCNCC2)c1
InChIInChI=1S/C10H16N4/c1-9-7-10(13-12-8-9)14-5-2-3-11-4-6-14/h7-8,11H,2-6H2,1H3
InChIKeyCBZRCOMEIGQEHG-UHFFFAOYSA-N
XLogP0.58
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.27
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methylpyridazin-3-yl)-1,4-diazepane?
The IUPAC name of 1-(5-methylpyridazin-3-yl)-1,4-diazepane (CID 106549205) is 1-(5-methylpyridazin-3-yl)-1,4-diazepane.
What is the SMILES notation for 1-(5-methylpyridazin-3-yl)-1,4-diazepane?
The canonical SMILES for 1-(5-methylpyridazin-3-yl)-1,4-diazepane is Cc1cnnc(N2CCCNCC2)c1.
What is the InChIKey of 1-(5-methylpyridazin-3-yl)-1,4-diazepane?
The InChIKey is CBZRCOMEIGQEHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4/c1-9-7-10(13-12-8-9)14-5-2-3-11-4-6-14/h7-8,11H,2-6H2,1H3.
What are the key properties of 1-(5-methylpyridazin-3-yl)-1,4-diazepane?
1-(5-methylpyridazin-3-yl)-1,4-diazepane has a molecular weight of 192.27 g/mol, XLogP of 0.58, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylpyridazin-3-yl)-1,4-diazepane is sourced from PubChem (CID 106549205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).