ethane;2-[2-(3-ethynylphenyl)tetrazol-5-yl]pyridine

C16H15N5 — CID 142231939

IUPACethane;2-[2-(3-ethynylphenyl)tetrazol-5-yl]pyridine
SMILESC#Cc1cccc(-n2nnc(-c3ccccn3)n2)c1.CC
InChIInChI=1S/C14H9N5.C2H6/c1-2-11-6-5-7-12(10-11)19-17-14(16-18-19)13-8-3-4-9-15-13;1-2/h1,3-10H;1-2H3
InChIKeyCKGOPTILGFNEEQ-UHFFFAOYSA-N
MW277.33 g/mol
LogP2.73
Rot. Bonds2

About ethane;2-[2-(3-ethynylphenyl)tetrazol-5-yl]pyridine

ethane;2-[2-(3-ethynylphenyl)tetrazol-5-yl]pyridine (PubChem CID 142231939) has the molecular formula C16H15N5 and a molecular weight of 277.33 g/mol. Its IUPAC name is ethane;2-[2-(3-ethynylphenyl)tetrazol-5-yl]pyridine.

Molecular Properties

Compound Nameethane;2-[2-(3-ethynylphenyl)tetrazol-5-yl]pyridine
PubChem CID142231939
Molecular FormulaC16H15N5
Molecular Weight277.33 g/mol
Exact Mass277.13
IUPAC Nameethane;2-[2-(3-ethynylphenyl)tetrazol-5-yl]pyridine
SMILESC#Cc1cccc(-n2nnc(-c3ccccn3)n2)c1.CC
InChIInChI=1S/C14H9N5.C2H6/c1-2-11-6-5-7-12(10-11)19-17-14(16-18-19)13-8-3-4-9-15-13;1-2/h1,3-10H;1-2H3
InChIKeyCKGOPTILGFNEEQ-UHFFFAOYSA-N
XLogP2.73
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze ethane;2-[2-(3-ethynylphenyl)tetrazol-5-yl]pyridine with MolForge

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

Launch Full Analysis

Related Compounds

1-[3-(5-pyridin-2-yltetrazol-2-yl)phenyl]ethanone
CID 58929263
2-[2-(2,6-dichlorophenyl)tetrazol-5-yl]pyridine
CID 58929285
2-[2-(4-chlorophenyl)tetrazol-5-yl]pyridine
CID 58929318
3-[3-(5-pyridin-2-yltetrazol-2-yl)phenyl]imidazo[4,5-c]pyridine
CID 10125913
2-[2-(4-pyridin-4-ylphenyl)tetrazol-5-yl]pyridine
CID 68616100
2-[2-methoxy-4-(5-pyridin-2-yltetrazol-2-yl)phenyl]pent-4-ynenitrile
CID 89338033
1-[2-methoxy-4-(5-pyridin-2-yltetrazol-2-yl)phenyl]ethanamine
CID 69152982
3-(5-quinolin-2-yltetrazol-2-yl)benzonitrile
CID 23158336
2-[2-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]pyridine
CID 58929286
3-[3-fluoro-5-(5-pyridin-2-yltetrazol-2-yl)phenyl]-N-methylaniline
CID 142807301
2-pyridin-3-yl-5-(5-pyridin-2-yltetrazol-2-yl)pyridine
CID 10149553
1-[2-fluoro-4-(5-pyridin-2-yltetrazol-2-yl)phenyl]pyrrolo[2,3-b]pyridine
CID 10172350

Frequently Asked Questions

What is the IUPAC name of ethane;2-[2-(3-ethynylphenyl)tetrazol-5-yl]pyridine?
The IUPAC name of ethane;2-[2-(3-ethynylphenyl)tetrazol-5-yl]pyridine (CID 142231939) is ethane;2-[2-(3-ethynylphenyl)tetrazol-5-yl]pyridine.
What is the SMILES notation for ethane;2-[2-(3-ethynylphenyl)tetrazol-5-yl]pyridine?
The canonical SMILES for ethane;2-[2-(3-ethynylphenyl)tetrazol-5-yl]pyridine is C#Cc1cccc(-n2nnc(-c3ccccn3)n2)c1.CC.
What is the InChIKey of ethane;2-[2-(3-ethynylphenyl)tetrazol-5-yl]pyridine?
The InChIKey is CKGOPTILGFNEEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N5.C2H6/c1-2-11-6-5-7-12(10-11)19-17-14(16-18-19)13-8-3-4-9-15-13;1-2/h1,3-10H;1-2H3.
What are the key properties of ethane;2-[2-(3-ethynylphenyl)tetrazol-5-yl]pyridine?
ethane;2-[2-(3-ethynylphenyl)tetrazol-5-yl]pyridine has a molecular weight of 277.33 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[2-(3-ethynylphenyl)tetrazol-5-yl]pyridine is sourced from PubChem (CID 142231939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).