7,14,18-trimethyl-3,6,10-triazapentacyclo[10.7.1.02,11.04,9.016,20]icosa-1(19),2,4(9),5,7,10,12,14,16(20),17-decaene

C20H15N3 — CID 58185780

IUPAC7,14,18-trimethyl-3,6,10-triazapentacyclo[10.7.1.02,11.04,9.016,20]icosa-1(19),2,4(9),5,7,10,12,14,16(20),17-decaene
SMILESCc1cc2c3c(cc(C)cc3c1)-c1nc3cc(C)ncc3nc1-2
InChIInChI=1S/C20H15N3/c1-10-4-13-5-11(2)7-15-18(13)14(6-10)19-20(15)23-17-9-21-12(3)8-16(17)22-19/h4-9H,1-3H3
InChIKeyAYGXLNNQLYPIKZ-UHFFFAOYSA-N
MW297.36 g/mol
LogP4.75
Rot. Bonds

About 7,14,18-trimethyl-3,6,10-triazapentacyclo[10.7.1.02,11.04,9.016,20]icosa-1(19),2,4(9),5,7,10,12,14,16(20),17-decaene

7,14,18-trimethyl-3,6,10-triazapentacyclo[10.7.1.02,11.04,9.016,20]icosa-1(19),2,4(9),5,7,10,12,14,16(20),17-decaene (PubChem CID 58185780) has the molecular formula C20H15N3 and a molecular weight of 297.36 g/mol. Its IUPAC name is 7,14,18-trimethyl-3,6,10-triazapentacyclo[10.7.1.02,11.04,9.016,20]icosa-1(19),2,4(9),5,7,10,12,14,16(20),17-decaene.

Molecular Properties

Compound Name7,14,18-trimethyl-3,6,10-triazapentacyclo[10.7.1.02,11.04,9.016,20]icosa-1(19),2,4(9),5,7,10,12,14,16(20),17-decaene
PubChem CID58185780
Molecular FormulaC20H15N3
Molecular Weight297.36 g/mol
Exact Mass297.13
IUPAC Name7,14,18-trimethyl-3,6,10-triazapentacyclo[10.7.1.02,11.04,9.016,20]icosa-1(19),2,4(9),5,7,10,12,14,16(20),17-decaene
SMILESCc1cc2c3c(cc(C)cc3c1)-c1nc3cc(C)ncc3nc1-2
InChIInChI=1S/C20H15N3/c1-10-4-13-5-11(2)7-15-18(13)14(6-10)19-20(15)23-17-9-21-12(3)8-16(17)22-19/h4-9H,1-3H3
InChIKeyAYGXLNNQLYPIKZ-UHFFFAOYSA-N
XLogP4.75
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7,14,18-trimethyl-3,6,10-triazapentacyclo[10.7.1.02,11.04,9.016,20]icosa-1(19),2,4(9),5,7,10,12,14,16(20),17-decaene with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 7,14,18-trimethyl-3,6,10-triazapentacyclo[10.7.1.02,11.04,9.016,20]icosa-1(19),2,4(9),5,7,10,12,14,16(20),17-decaene?
The IUPAC name of 7,14,18-trimethyl-3,6,10-triazapentacyclo[10.7.1.02,11.04,9.016,20]icosa-1(19),2,4(9),5,7,10,12,14,16(20),17-decaene (CID 58185780) is 7,14,18-trimethyl-3,6,10-triazapentacyclo[10.7.1.02,11.04,9.016,20]icosa-1(19),2,4(9),5,7,10,12,14,16(20),17-decaene.
What is the SMILES notation for 7,14,18-trimethyl-3,6,10-triazapentacyclo[10.7.1.02,11.04,9.016,20]icosa-1(19),2,4(9),5,7,10,12,14,16(20),17-decaene?
The canonical SMILES for 7,14,18-trimethyl-3,6,10-triazapentacyclo[10.7.1.02,11.04,9.016,20]icosa-1(19),2,4(9),5,7,10,12,14,16(20),17-decaene is Cc1cc2c3c(cc(C)cc3c1)-c1nc3cc(C)ncc3nc1-2.
What is the InChIKey of 7,14,18-trimethyl-3,6,10-triazapentacyclo[10.7.1.02,11.04,9.016,20]icosa-1(19),2,4(9),5,7,10,12,14,16(20),17-decaene?
The InChIKey is AYGXLNNQLYPIKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3/c1-10-4-13-5-11(2)7-15-18(13)14(6-10)19-20(15)23-17-9-21-12(3)8-16(17)22-19/h4-9H,1-3H3.
What are the key properties of 7,14,18-trimethyl-3,6,10-triazapentacyclo[10.7.1.02,11.04,9.016,20]icosa-1(19),2,4(9),5,7,10,12,14,16(20),17-decaene?
7,14,18-trimethyl-3,6,10-triazapentacyclo[10.7.1.02,11.04,9.016,20]icosa-1(19),2,4(9),5,7,10,12,14,16(20),17-decaene has a molecular weight of 297.36 g/mol, XLogP of 4.75, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,14,18-trimethyl-3,6,10-triazapentacyclo[10.7.1.02,11.04,9.016,20]icosa-1(19),2,4(9),5,7,10,12,14,16(20),17-decaene is sourced from PubChem (CID 58185780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).