6-[[4-(4,5-dimethyl-6-propylpyridazin-3-yl)piperidin-1-yl]methyl]-2,5-dimethyl-2H-1,4-diazepine

C22H33N5 — CID 91516516

IUPAC6-[[4-(4,5-dimethyl-6-propylpyridazin-3-yl)piperidin-1-yl]methyl]-2,5-dimethyl-2H-1,4-diazepine
SMILESCCCc1nnc(C2CCN(CC3=C(C)N=CC(C)N=C3)CC2)c(C)c1C
InChIInChI=1S/C22H33N5/c1-6-7-21-16(3)17(4)22(26-25-21)19-8-10-27(11-9-19)14-20-13-23-15(2)12-24-18(20)5/h12-13,15,19H,6-11,14H2,1-5H3
InChIKeyCLDCDGOKWKNRFY-UHFFFAOYSA-N
MW367.54 g/mol
LogP4.04
Rot. Bonds5

About 6-[[4-(4,5-dimethyl-6-propylpyridazin-3-yl)piperidin-1-yl]methyl]-2,5-dimethyl-2H-1,4-diazepine

6-[[4-(4,5-dimethyl-6-propylpyridazin-3-yl)piperidin-1-yl]methyl]-2,5-dimethyl-2H-1,4-diazepine (PubChem CID 91516516) has the molecular formula C22H33N5 and a molecular weight of 367.54 g/mol. Its IUPAC name is 6-[[4-(4,5-dimethyl-6-propylpyridazin-3-yl)piperidin-1-yl]methyl]-2,5-dimethyl-2H-1,4-diazepine.

Molecular Properties

Compound Name6-[[4-(4,5-dimethyl-6-propylpyridazin-3-yl)piperidin-1-yl]methyl]-2,5-dimethyl-2H-1,4-diazepine
PubChem CID91516516
Molecular FormulaC22H33N5
Molecular Weight367.54 g/mol
Exact Mass367.27
IUPAC Name6-[[4-(4,5-dimethyl-6-propylpyridazin-3-yl)piperidin-1-yl]methyl]-2,5-dimethyl-2H-1,4-diazepine
SMILESCCCc1nnc(C2CCN(CC3=C(C)N=CC(C)N=C3)CC2)c(C)c1C
InChIInChI=1S/C22H33N5/c1-6-7-21-16(3)17(4)22(26-25-21)19-8-10-27(11-9-19)14-20-13-23-15(2)12-24-18(20)5/h12-13,15,19H,6-11,14H2,1-5H3
InChIKeyCLDCDGOKWKNRFY-UHFFFAOYSA-N
XLogP4.04
TPSA53.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.54
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[[4-(4,5-dimethyl-6-propylpyridazin-3-yl)piperidin-1-yl]methyl]-2,5-dimethyl-2H-1,4-diazepine?
The IUPAC name of 6-[[4-(4,5-dimethyl-6-propylpyridazin-3-yl)piperidin-1-yl]methyl]-2,5-dimethyl-2H-1,4-diazepine (CID 91516516) is 6-[[4-(4,5-dimethyl-6-propylpyridazin-3-yl)piperidin-1-yl]methyl]-2,5-dimethyl-2H-1,4-diazepine.
What is the SMILES notation for 6-[[4-(4,5-dimethyl-6-propylpyridazin-3-yl)piperidin-1-yl]methyl]-2,5-dimethyl-2H-1,4-diazepine?
The canonical SMILES for 6-[[4-(4,5-dimethyl-6-propylpyridazin-3-yl)piperidin-1-yl]methyl]-2,5-dimethyl-2H-1,4-diazepine is CCCc1nnc(C2CCN(CC3=C(C)N=CC(C)N=C3)CC2)c(C)c1C.
What is the InChIKey of 6-[[4-(4,5-dimethyl-6-propylpyridazin-3-yl)piperidin-1-yl]methyl]-2,5-dimethyl-2H-1,4-diazepine?
The InChIKey is CLDCDGOKWKNRFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N5/c1-6-7-21-16(3)17(4)22(26-25-21)19-8-10-27(11-9-19)14-20-13-23-15(2)12-24-18(20)5/h12-13,15,19H,6-11,14H2,1-5H3.
What are the key properties of 6-[[4-(4,5-dimethyl-6-propylpyridazin-3-yl)piperidin-1-yl]methyl]-2,5-dimethyl-2H-1,4-diazepine?
6-[[4-(4,5-dimethyl-6-propylpyridazin-3-yl)piperidin-1-yl]methyl]-2,5-dimethyl-2H-1,4-diazepine has a molecular weight of 367.54 g/mol, XLogP of 4.04, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(4,5-dimethyl-6-propylpyridazin-3-yl)piperidin-1-yl]methyl]-2,5-dimethyl-2H-1,4-diazepine is sourced from PubChem (CID 91516516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).