4-(s-indacen-4-yl)-2H-triazepine

C16H11N3 — CID 174782393

IUPAC4-(s-indacen-4-yl)-2H-triazepine
SMILESC1=CC(c2c3c(cc4c2=CC=C4)=CC=C3)=NNN=C1
InChIInChI=1S/C16H11N3/c1-4-11-10-12-5-2-7-14(12)16(13(11)6-1)15-8-3-9-17-19-18-15/h1-10,19H
InChIKeyJUWBODQQAKRZIA-UHFFFAOYSA-N
MW245.29 g/mol
LogP1.15
Rot. Bonds1

About 4-(s-indacen-4-yl)-2H-triazepine

4-(s-indacen-4-yl)-2H-triazepine (PubChem CID 174782393) has the molecular formula C16H11N3 and a molecular weight of 245.29 g/mol. Its IUPAC name is 4-(s-indacen-4-yl)-2H-triazepine.

Molecular Properties

Compound Name4-(s-indacen-4-yl)-2H-triazepine
PubChem CID174782393
Molecular FormulaC16H11N3
Molecular Weight245.29 g/mol
Exact Mass245.10
IUPAC Name4-(s-indacen-4-yl)-2H-triazepine
SMILESC1=CC(c2c3c(cc4c2=CC=C4)=CC=C3)=NNN=C1
InChIInChI=1S/C16H11N3/c1-4-11-10-12-5-2-7-14(12)16(13(11)6-1)15-8-3-9-17-19-18-15/h1-10,19H
InChIKeyJUWBODQQAKRZIA-UHFFFAOYSA-N
XLogP1.15
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(s-indacen-4-yl)-2H-triazepine?
The IUPAC name of 4-(s-indacen-4-yl)-2H-triazepine (CID 174782393) is 4-(s-indacen-4-yl)-2H-triazepine.
What is the SMILES notation for 4-(s-indacen-4-yl)-2H-triazepine?
The canonical SMILES for 4-(s-indacen-4-yl)-2H-triazepine is C1=CC(c2c3c(cc4c2=CC=C4)=CC=C3)=NNN=C1.
What is the InChIKey of 4-(s-indacen-4-yl)-2H-triazepine?
The InChIKey is JUWBODQQAKRZIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3/c1-4-11-10-12-5-2-7-14(12)16(13(11)6-1)15-8-3-9-17-19-18-15/h1-10,19H.
What are the key properties of 4-(s-indacen-4-yl)-2H-triazepine?
4-(s-indacen-4-yl)-2H-triazepine has a molecular weight of 245.29 g/mol, XLogP of 1.15, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(s-indacen-4-yl)-2H-triazepine is sourced from PubChem (CID 174782393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).