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

C12H11N3 — CID 159174280

IUPACnaphthalene;1H-1,2,4-triazole
SMILESc1ccc2ccccc2c1.c1nc[nH]n1
InChIInChI=1S/C10H8.C2H3N3/c1-2-6-10-8-4-3-7-9(10)5-1;1-3-2-5-4-1/h1-8H;1-2H,(H,3,4,5)
InChIKeyKMBVAPKHPHQIEE-UHFFFAOYSA-N
MW197.24 g/mol
LogP2.64
Rot. Bonds

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

naphthalene;1H-1,2,4-triazole (PubChem CID 159174280) has the molecular formula C12H11N3 and a molecular weight of 197.24 g/mol. Its IUPAC name is naphthalene;1H-1,2,4-triazole.

Molecular Properties

Compound Namenaphthalene;1H-1,2,4-triazole
PubChem CID159174280
Molecular FormulaC12H11N3
Molecular Weight197.24 g/mol
Exact Mass197.10
IUPAC Namenaphthalene;1H-1,2,4-triazole
SMILESc1ccc2ccccc2c1.c1nc[nH]n1
InChIInChI=1S/C10H8.C2H3N3/c1-2-6-10-8-4-3-7-9(10)5-1;1-3-2-5-4-1/h1-8H;1-2H,(H,3,4,5)
InChIKeyKMBVAPKHPHQIEE-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

Analyze naphthalene;1H-1,2,4-triazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of naphthalene;1H-1,2,4-triazole?
The IUPAC name of naphthalene;1H-1,2,4-triazole (CID 159174280) is naphthalene;1H-1,2,4-triazole.
What is the SMILES notation for naphthalene;1H-1,2,4-triazole?
The canonical SMILES for naphthalene;1H-1,2,4-triazole is c1ccc2ccccc2c1.c1nc[nH]n1.
What is the InChIKey of naphthalene;1H-1,2,4-triazole?
The InChIKey is KMBVAPKHPHQIEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8.C2H3N3/c1-2-6-10-8-4-3-7-9(10)5-1;1-3-2-5-4-1/h1-8H;1-2H,(H,3,4,5).
What are the key properties of naphthalene;1H-1,2,4-triazole?
naphthalene;1H-1,2,4-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;1H-1,2,4-triazole is sourced from PubChem (CID 159174280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).