naphthalene;2H-triazole

C12H11N3 — CID 68892159

IUPACnaphthalene;2H-triazole
SMILESc1ccc2ccccc2c1.c1cn[nH]n1
InChIInChI=1S/C10H8.C2H3N3/c1-2-6-10-8-4-3-7-9(10)5-1;1-2-4-5-3-1/h1-8H;1-2H,(H,3,4,5)
InChIKeyKXSDZNUZMPLBOT-UHFFFAOYSA-N
MW197.24 g/mol
LogP2.64
Rot. Bonds

About naphthalene;2H-triazole

naphthalene;2H-triazole (PubChem CID 68892159) has the molecular formula C12H11N3 and a molecular weight of 197.24 g/mol. Its IUPAC name is naphthalene;2H-triazole.

Molecular Properties

Compound Namenaphthalene;2H-triazole
PubChem CID68892159
Molecular FormulaC12H11N3
Molecular Weight197.24 g/mol
Exact Mass197.10
IUPAC Namenaphthalene;2H-triazole
SMILESc1ccc2ccccc2c1.c1cn[nH]n1
InChIInChI=1S/C10H8.C2H3N3/c1-2-6-10-8-4-3-7-9(10)5-1;1-2-4-5-3-1/h1-8H;1-2H,(H,3,4,5)
InChIKeyKXSDZNUZMPLBOT-UHFFFAOYSA-N
XLogP2.64
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of naphthalene;2H-triazole?
The IUPAC name of naphthalene;2H-triazole (CID 68892159) is naphthalene;2H-triazole.
What is the SMILES notation for naphthalene;2H-triazole?
The canonical SMILES for naphthalene;2H-triazole is c1ccc2ccccc2c1.c1cn[nH]n1.
What is the InChIKey of naphthalene;2H-triazole?
The InChIKey is KXSDZNUZMPLBOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8.C2H3N3/c1-2-6-10-8-4-3-7-9(10)5-1;1-2-4-5-3-1/h1-8H;1-2H,(H,3,4,5).
What are the key properties of naphthalene;2H-triazole?
naphthalene;2H-triazole has a molecular weight of 197.24 g/mol, XLogP of 2.64, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalene;2H-triazole is sourced from PubChem (CID 68892159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).