6,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene

C17H11N3 — CID 148886770

IUPAC6,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene
SMILESc1ccc2c(c1)[nH]c1cc3[nH]c4ccncc4c3cc12
InChIInChI=1S/C17H11N3/c1-2-4-14-10(3-1)11-7-12-13-9-18-6-5-15(13)20-17(12)8-16(11)19-14/h1-9,19-20H
InChIKeyPECZJSMZEWIOCA-UHFFFAOYSA-N
MW257.30 g/mol
LogP4.35
Rot. Bonds

About 6,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene

6,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene (PubChem CID 148886770) has the molecular formula C17H11N3 and a molecular weight of 257.30 g/mol. Its IUPAC name is 6,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene.

Molecular Properties

Compound Name6,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene
PubChem CID148886770
Molecular FormulaC17H11N3
Molecular Weight257.30 g/mol
Exact Mass257.10
IUPAC Name6,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene
SMILESc1ccc2c(c1)[nH]c1cc3[nH]c4ccncc4c3cc12
InChIInChI=1S/C17H11N3/c1-2-4-14-10(3-1)11-7-12-13-9-18-6-5-15(13)20-17(12)8-16(11)19-14/h1-9,19-20H
InChIKeyPECZJSMZEWIOCA-UHFFFAOYSA-N
XLogP4.35
TPSA44.47 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 6,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene?
The IUPAC name of 6,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene (CID 148886770) is 6,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene.
What is the SMILES notation for 6,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene?
The canonical SMILES for 6,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene is c1ccc2c(c1)[nH]c1cc3[nH]c4ccncc4c3cc12.
What is the InChIKey of 6,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene?
The InChIKey is PECZJSMZEWIOCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N3/c1-2-4-14-10(3-1)11-7-12-13-9-18-6-5-15(13)20-17(12)8-16(11)19-14/h1-9,19-20H.
What are the key properties of 6,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene?
6,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene has a molecular weight of 257.30 g/mol, XLogP of 4.35, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene is sourced from PubChem (CID 148886770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).