19-methyl-14,19,22-triazapentacyclo[11.7.2.02,7.09,22.017,21]docosa-2,4,6,9,11-pentaene

C20H25N3 — CID 70501709

IUPAC19-methyl-14,19,22-triazapentacyclo[11.7.2.02,7.09,22.017,21]docosa-2,4,6,9,11-pentaene
SMILESCN1CC2CCNC3C=CC=C4Cc5ccccc5C(C1)C2N43
InChIInChI=1S/C20H25N3/c1-22-12-15-9-10-21-19-8-4-6-16-11-14-5-2-3-7-17(14)18(13-22)20(15)23(16)19/h2-8,15,18-21H,9-13H2,1H3
InChIKeyKBTTZOCZDQOOMT-UHFFFAOYSA-N
MW307.44 g/mol
LogP2.33
Rot. Bonds

About 19-methyl-14,19,22-triazapentacyclo[11.7.2.02,7.09,22.017,21]docosa-2,4,6,9,11-pentaene

19-methyl-14,19,22-triazapentacyclo[11.7.2.02,7.09,22.017,21]docosa-2,4,6,9,11-pentaene (PubChem CID 70501709) has the molecular formula C20H25N3 and a molecular weight of 307.44 g/mol. Its IUPAC name is 19-methyl-14,19,22-triazapentacyclo[11.7.2.02,7.09,22.017,21]docosa-2,4,6,9,11-pentaene.

Molecular Properties

Compound Name19-methyl-14,19,22-triazapentacyclo[11.7.2.02,7.09,22.017,21]docosa-2,4,6,9,11-pentaene
PubChem CID70501709
Molecular FormulaC20H25N3
Molecular Weight307.44 g/mol
Exact Mass307.20
IUPAC Name19-methyl-14,19,22-triazapentacyclo[11.7.2.02,7.09,22.017,21]docosa-2,4,6,9,11-pentaene
SMILESCN1CC2CCNC3C=CC=C4Cc5ccccc5C(C1)C2N43
InChIInChI=1S/C20H25N3/c1-22-12-15-9-10-21-19-8-4-6-16-11-14-5-2-3-7-17(14)18(13-22)20(15)23(16)19/h2-8,15,18-21H,9-13H2,1H3
InChIKeyKBTTZOCZDQOOMT-UHFFFAOYSA-N
XLogP2.33
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 19-methyl-14,19,22-triazapentacyclo[11.7.2.02,7.09,22.017,21]docosa-2,4,6,9,11-pentaene?
The IUPAC name of 19-methyl-14,19,22-triazapentacyclo[11.7.2.02,7.09,22.017,21]docosa-2,4,6,9,11-pentaene (CID 70501709) is 19-methyl-14,19,22-triazapentacyclo[11.7.2.02,7.09,22.017,21]docosa-2,4,6,9,11-pentaene.
What is the SMILES notation for 19-methyl-14,19,22-triazapentacyclo[11.7.2.02,7.09,22.017,21]docosa-2,4,6,9,11-pentaene?
The canonical SMILES for 19-methyl-14,19,22-triazapentacyclo[11.7.2.02,7.09,22.017,21]docosa-2,4,6,9,11-pentaene is CN1CC2CCNC3C=CC=C4Cc5ccccc5C(C1)C2N43.
What is the InChIKey of 19-methyl-14,19,22-triazapentacyclo[11.7.2.02,7.09,22.017,21]docosa-2,4,6,9,11-pentaene?
The InChIKey is KBTTZOCZDQOOMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3/c1-22-12-15-9-10-21-19-8-4-6-16-11-14-5-2-3-7-17(14)18(13-22)20(15)23(16)19/h2-8,15,18-21H,9-13H2,1H3.
What are the key properties of 19-methyl-14,19,22-triazapentacyclo[11.7.2.02,7.09,22.017,21]docosa-2,4,6,9,11-pentaene?
19-methyl-14,19,22-triazapentacyclo[11.7.2.02,7.09,22.017,21]docosa-2,4,6,9,11-pentaene has a molecular weight of 307.44 g/mol, XLogP of 2.33, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 19-methyl-14,19,22-triazapentacyclo[11.7.2.02,7.09,22.017,21]docosa-2,4,6,9,11-pentaene is sourced from PubChem (CID 70501709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).