3-(2H-tetrazol-5-yl)quinoline

C10H7N5 — CID 22395690

IUPAC3-(2H-tetrazol-5-yl)quinoline
SMILESc1ccc2ncc(-c3nn[nH]n3)cc2c1
InChIInChI=1S/C10H7N5/c1-2-4-9-7(3-1)5-8(6-11-9)10-12-14-15-13-10/h1-6H,(H,12,13,14,15)
InChIKeyNCTWQUYOOHAZLQ-UHFFFAOYSA-N
MW197.20 g/mol
LogP1.41
Rot. Bonds1

About 3-(2H-tetrazol-5-yl)quinoline

3-(2H-tetrazol-5-yl)quinoline (PubChem CID 22395690) has the molecular formula C10H7N5 and a molecular weight of 197.20 g/mol. Its IUPAC name is 3-(2H-tetrazol-5-yl)quinoline.

Molecular Properties

Compound Name3-(2H-tetrazol-5-yl)quinoline
PubChem CID22395690
Molecular FormulaC10H7N5
Molecular Weight197.20 g/mol
Exact Mass197.07
IUPAC Name3-(2H-tetrazol-5-yl)quinoline
SMILESc1ccc2ncc(-c3nn[nH]n3)cc2c1
InChIInChI=1S/C10H7N5/c1-2-4-9-7(3-1)5-8(6-11-9)10-12-14-15-13-10/h1-6H,(H,12,13,14,15)
InChIKeyNCTWQUYOOHAZLQ-UHFFFAOYSA-N
XLogP1.41
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2H-tetrazol-5-yl)quinoline?
The IUPAC name of 3-(2H-tetrazol-5-yl)quinoline (CID 22395690) is 3-(2H-tetrazol-5-yl)quinoline.
What is the SMILES notation for 3-(2H-tetrazol-5-yl)quinoline?
The canonical SMILES for 3-(2H-tetrazol-5-yl)quinoline is c1ccc2ncc(-c3nn[nH]n3)cc2c1.
What is the InChIKey of 3-(2H-tetrazol-5-yl)quinoline?
The InChIKey is NCTWQUYOOHAZLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N5/c1-2-4-9-7(3-1)5-8(6-11-9)10-12-14-15-13-10/h1-6H,(H,12,13,14,15).
What are the key properties of 3-(2H-tetrazol-5-yl)quinoline?
3-(2H-tetrazol-5-yl)quinoline has a molecular weight of 197.20 g/mol, XLogP of 1.41, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2H-tetrazol-5-yl)quinoline is sourced from PubChem (CID 22395690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).