3-(tetrazol-1-yl)quinoline

C10H7N5 — CID 598097

IUPAC3-(tetrazol-1-yl)quinoline
SMILESc1ccc2ncc(-n3cnnn3)cc2c1
InChIInChI=1S/C10H7N5/c1-2-4-10-8(3-1)5-9(6-11-10)15-7-12-13-14-15/h1-7H
InChIKeySECOUIRYEHHHFS-UHFFFAOYSA-N
MW197.20 g/mol
LogP1.21
Rot. Bonds1

About 3-(tetrazol-1-yl)quinoline

3-(tetrazol-1-yl)quinoline (PubChem CID 598097) has the molecular formula C10H7N5 and a molecular weight of 197.20 g/mol. Its IUPAC name is 3-(tetrazol-1-yl)quinoline.

Molecular Properties

Compound Name3-(tetrazol-1-yl)quinoline
PubChem CID598097
Molecular FormulaC10H7N5
Molecular Weight197.20 g/mol
Exact Mass197.07
IUPAC Name3-(tetrazol-1-yl)quinoline
SMILESc1ccc2ncc(-n3cnnn3)cc2c1
InChIInChI=1S/C10H7N5/c1-2-4-10-8(3-1)5-9(6-11-10)15-7-12-13-14-15/h1-7H
InChIKeySECOUIRYEHHHFS-UHFFFAOYSA-N
XLogP1.21
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(tetrazol-1-yl)quinoline?
The IUPAC name of 3-(tetrazol-1-yl)quinoline (CID 598097) is 3-(tetrazol-1-yl)quinoline.
What is the SMILES notation for 3-(tetrazol-1-yl)quinoline?
The canonical SMILES for 3-(tetrazol-1-yl)quinoline is c1ccc2ncc(-n3cnnn3)cc2c1.
What is the InChIKey of 3-(tetrazol-1-yl)quinoline?
The InChIKey is SECOUIRYEHHHFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N5/c1-2-4-10-8(3-1)5-9(6-11-10)15-7-12-13-14-15/h1-7H.
What are the key properties of 3-(tetrazol-1-yl)quinoline?
3-(tetrazol-1-yl)quinoline has a molecular weight of 197.20 g/mol, XLogP of 1.21, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tetrazol-1-yl)quinoline is sourced from PubChem (CID 598097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).