1H-cyclopenta[8]annulene;2H-triazepine

C15H15N3 — CID 174715149

IUPAC1H-cyclopenta[8]annulene;2H-triazepine
SMILESC1=CC=CC2=C(C=C1)C=CC2.C1=CC=NNN=C1
InChIInChI=1S/C11H10.C4H5N3/c1-2-4-7-11-9-5-8-10(11)6-3-1;1-2-4-6-7-5-3-1/h1-8H,9H2;1-4,7H
InChIKeyMKQUVJHGYJSSTE-UHFFFAOYSA-N
MW237.31 g/mol
LogP3.04
Rot. Bonds

About 1H-cyclopenta[8]annulene;2H-triazepine

1H-cyclopenta[8]annulene;2H-triazepine (PubChem CID 174715149) has the molecular formula C15H15N3 and a molecular weight of 237.31 g/mol. Its IUPAC name is 1H-cyclopenta[8]annulene;2H-triazepine.

Molecular Properties

Compound Name1H-cyclopenta[8]annulene;2H-triazepine
PubChem CID174715149
Molecular FormulaC15H15N3
Molecular Weight237.31 g/mol
Exact Mass237.13
IUPAC Name1H-cyclopenta[8]annulene;2H-triazepine
SMILESC1=CC=CC2=C(C=C1)C=CC2.C1=CC=NNN=C1
InChIInChI=1S/C11H10.C4H5N3/c1-2-4-7-11-9-5-8-10(11)6-3-1;1-2-4-6-7-5-3-1/h1-8H,9H2;1-4,7H
InChIKeyMKQUVJHGYJSSTE-UHFFFAOYSA-N
XLogP3.04
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1H-cyclopenta[8]annulene;2H-triazepine?
The IUPAC name of 1H-cyclopenta[8]annulene;2H-triazepine (CID 174715149) is 1H-cyclopenta[8]annulene;2H-triazepine.
What is the SMILES notation for 1H-cyclopenta[8]annulene;2H-triazepine?
The canonical SMILES for 1H-cyclopenta[8]annulene;2H-triazepine is C1=CC=CC2=C(C=C1)C=CC2.C1=CC=NNN=C1.
What is the InChIKey of 1H-cyclopenta[8]annulene;2H-triazepine?
The InChIKey is MKQUVJHGYJSSTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10.C4H5N3/c1-2-4-7-11-9-5-8-10(11)6-3-1;1-2-4-6-7-5-3-1/h1-8H,9H2;1-4,7H.
What are the key properties of 1H-cyclopenta[8]annulene;2H-triazepine?
1H-cyclopenta[8]annulene;2H-triazepine has a molecular weight of 237.31 g/mol, XLogP of 3.04, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-cyclopenta[8]annulene;2H-triazepine is sourced from PubChem (CID 174715149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).