4-(6-methylidenecyclohexa-2,4-dien-1-yl)-5-phenyl-2H-triazole

C15H13N3 — CID 141147494

IUPAC4-(6-methylidenecyclohexa-2,4-dien-1-yl)-5-phenyl-2H-triazole
SMILESC=C1C=CC=CC1c1n[nH]nc1-c1ccccc1
InChIInChI=1S/C15H13N3/c1-11-7-5-6-10-13(11)15-14(16-18-17-15)12-8-3-2-4-9-12/h2-10,13H,1H2,(H,16,17,18)
InChIKeyVTZAQDQTNPHYID-UHFFFAOYSA-N
MW235.29 g/mol
LogP3.24
Rot. Bonds2

About 4-(6-methylidenecyclohexa-2,4-dien-1-yl)-5-phenyl-2H-triazole

4-(6-methylidenecyclohexa-2,4-dien-1-yl)-5-phenyl-2H-triazole (PubChem CID 141147494) has the molecular formula C15H13N3 and a molecular weight of 235.29 g/mol. Its IUPAC name is 4-(6-methylidenecyclohexa-2,4-dien-1-yl)-5-phenyl-2H-triazole.

Molecular Properties

Compound Name4-(6-methylidenecyclohexa-2,4-dien-1-yl)-5-phenyl-2H-triazole
PubChem CID141147494
Molecular FormulaC15H13N3
Molecular Weight235.29 g/mol
Exact Mass235.11
IUPAC Name4-(6-methylidenecyclohexa-2,4-dien-1-yl)-5-phenyl-2H-triazole
SMILESC=C1C=CC=CC1c1n[nH]nc1-c1ccccc1
InChIInChI=1S/C15H13N3/c1-11-7-5-6-10-13(11)15-14(16-18-17-15)12-8-3-2-4-9-12/h2-10,13H,1H2,(H,16,17,18)
InChIKeyVTZAQDQTNPHYID-UHFFFAOYSA-N
XLogP3.24
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(6-methylidenecyclohexa-2,4-dien-1-yl)-5-phenyl-2H-triazole?
The IUPAC name of 4-(6-methylidenecyclohexa-2,4-dien-1-yl)-5-phenyl-2H-triazole (CID 141147494) is 4-(6-methylidenecyclohexa-2,4-dien-1-yl)-5-phenyl-2H-triazole.
What is the SMILES notation for 4-(6-methylidenecyclohexa-2,4-dien-1-yl)-5-phenyl-2H-triazole?
The canonical SMILES for 4-(6-methylidenecyclohexa-2,4-dien-1-yl)-5-phenyl-2H-triazole is C=C1C=CC=CC1c1n[nH]nc1-c1ccccc1.
What is the InChIKey of 4-(6-methylidenecyclohexa-2,4-dien-1-yl)-5-phenyl-2H-triazole?
The InChIKey is VTZAQDQTNPHYID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3/c1-11-7-5-6-10-13(11)15-14(16-18-17-15)12-8-3-2-4-9-12/h2-10,13H,1H2,(H,16,17,18).
What are the key properties of 4-(6-methylidenecyclohexa-2,4-dien-1-yl)-5-phenyl-2H-triazole?
4-(6-methylidenecyclohexa-2,4-dien-1-yl)-5-phenyl-2H-triazole has a molecular weight of 235.29 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methylidenecyclohexa-2,4-dien-1-yl)-5-phenyl-2H-triazole is sourced from PubChem (CID 141147494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).