benzylbenzene;1H-1,2,4-triazole

C15H15N3 — CID 70419885

IUPACbenzylbenzene;1H-1,2,4-triazole
SMILESc1ccc(Cc2ccccc2)cc1.c1nc[nH]n1
InChIInChI=1S/C13H12.C2H3N3/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;1-3-2-5-4-1/h1-10H,11H2;1-2H,(H,3,4,5)
InChIKeyKALADUYFIDIKAG-UHFFFAOYSA-N
MW237.31 g/mol
LogP3.08
Rot. Bonds2

About benzylbenzene;1H-1,2,4-triazole

benzylbenzene;1H-1,2,4-triazole (PubChem CID 70419885) has the molecular formula C15H15N3 and a molecular weight of 237.31 g/mol. Its IUPAC name is benzylbenzene;1H-1,2,4-triazole.

Molecular Properties

Compound Namebenzylbenzene;1H-1,2,4-triazole
PubChem CID70419885
Molecular FormulaC15H15N3
Molecular Weight237.31 g/mol
Exact Mass237.13
IUPAC Namebenzylbenzene;1H-1,2,4-triazole
SMILESc1ccc(Cc2ccccc2)cc1.c1nc[nH]n1
InChIInChI=1S/C13H12.C2H3N3/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;1-3-2-5-4-1/h1-10H,11H2;1-2H,(H,3,4,5)
InChIKeyKALADUYFIDIKAG-UHFFFAOYSA-N
XLogP3.08
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of benzylbenzene;1H-1,2,4-triazole?
The IUPAC name of benzylbenzene;1H-1,2,4-triazole (CID 70419885) is benzylbenzene;1H-1,2,4-triazole.
What is the SMILES notation for benzylbenzene;1H-1,2,4-triazole?
The canonical SMILES for benzylbenzene;1H-1,2,4-triazole is c1ccc(Cc2ccccc2)cc1.c1nc[nH]n1.
What is the InChIKey of benzylbenzene;1H-1,2,4-triazole?
The InChIKey is KALADUYFIDIKAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12.C2H3N3/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;1-3-2-5-4-1/h1-10H,11H2;1-2H,(H,3,4,5).
What are the key properties of benzylbenzene;1H-1,2,4-triazole?
benzylbenzene;1H-1,2,4-triazole has a molecular weight of 237.31 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzylbenzene;1H-1,2,4-triazole is sourced from PubChem (CID 70419885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).