17-methyl-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5,9-triene

C19H26N2 — CID 141282633

IUPAC17-methyl-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5,9-triene
SMILESCC1CCC2C1CCC1C3Cc4cn[nH]c4C=C3CCC12
InChIInChI=1S/C19H26N2/c1-11-2-4-15-14(11)6-7-17-16(15)5-3-12-9-19-13(8-18(12)17)10-20-21-19/h9-11,14-18H,2-8H2,1H3,(H,20,21)
InChIKeyMGLFBIJYIBGQIQ-UHFFFAOYSA-N
MW282.43 g/mol
LogP4.45
Rot. Bonds

About 17-methyl-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5,9-triene

17-methyl-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5,9-triene (PubChem CID 141282633) has the molecular formula C19H26N2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 17-methyl-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5,9-triene.

Molecular Properties

Compound Name17-methyl-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5,9-triene
PubChem CID141282633
Molecular FormulaC19H26N2
Molecular Weight282.43 g/mol
Exact Mass282.21
IUPAC Name17-methyl-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5,9-triene
SMILESCC1CCC2C1CCC1C3Cc4cn[nH]c4C=C3CCC12
InChIInChI=1S/C19H26N2/c1-11-2-4-15-14(11)6-7-17-16(15)5-3-12-9-19-13(8-18(12)17)10-20-21-19/h9-11,14-18H,2-8H2,1H3,(H,20,21)
InChIKeyMGLFBIJYIBGQIQ-UHFFFAOYSA-N
XLogP4.45
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 17-methyl-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5,9-triene?
The IUPAC name of 17-methyl-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5,9-triene (CID 141282633) is 17-methyl-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5,9-triene.
What is the SMILES notation for 17-methyl-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5,9-triene?
The canonical SMILES for 17-methyl-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5,9-triene is CC1CCC2C1CCC1C3Cc4cn[nH]c4C=C3CCC12.
What is the InChIKey of 17-methyl-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5,9-triene?
The InChIKey is MGLFBIJYIBGQIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2/c1-11-2-4-15-14(11)6-7-17-16(15)5-3-12-9-19-13(8-18(12)17)10-20-21-19/h9-11,14-18H,2-8H2,1H3,(H,20,21).
What are the key properties of 17-methyl-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5,9-triene?
17-methyl-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5,9-triene has a molecular weight of 282.43 g/mol, XLogP of 4.45, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 17-methyl-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5,9-triene is sourced from PubChem (CID 141282633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).