3-(5-quinolin-2-yltetrazol-2-yl)benzonitrile

C17H10N6 — CID 23158336

IUPAC3-(5-quinolin-2-yltetrazol-2-yl)benzonitrile
SMILESN#Cc1cccc(-n2nnc(-c3ccc4ccccc4n3)n2)c1
InChIInChI=1S/C17H10N6/c18-11-12-4-3-6-14(10-12)23-21-17(20-22-23)16-9-8-13-5-1-2-7-15(13)19-16/h1-10H
InChIKeyKCVPXHBBGUBKFK-UHFFFAOYSA-N
MW298.31 g/mol
LogP2.75
Rot. Bonds2

About 3-(5-quinolin-2-yltetrazol-2-yl)benzonitrile

3-(5-quinolin-2-yltetrazol-2-yl)benzonitrile (PubChem CID 23158336) has the molecular formula C17H10N6 and a molecular weight of 298.31 g/mol. Its IUPAC name is 3-(5-quinolin-2-yltetrazol-2-yl)benzonitrile.

Molecular Properties

Compound Name3-(5-quinolin-2-yltetrazol-2-yl)benzonitrile
PubChem CID23158336
Molecular FormulaC17H10N6
Molecular Weight298.31 g/mol
Exact Mass298.10
IUPAC Name3-(5-quinolin-2-yltetrazol-2-yl)benzonitrile
SMILESN#Cc1cccc(-n2nnc(-c3ccc4ccccc4n3)n2)c1
InChIInChI=1S/C17H10N6/c18-11-12-4-3-6-14(10-12)23-21-17(20-22-23)16-9-8-13-5-1-2-7-15(13)19-16/h1-10H
InChIKeyKCVPXHBBGUBKFK-UHFFFAOYSA-N
XLogP2.75
TPSA80.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(5-quinolin-2-yltetrazol-2-yl)benzonitrile?
The IUPAC name of 3-(5-quinolin-2-yltetrazol-2-yl)benzonitrile (CID 23158336) is 3-(5-quinolin-2-yltetrazol-2-yl)benzonitrile.
What is the SMILES notation for 3-(5-quinolin-2-yltetrazol-2-yl)benzonitrile?
The canonical SMILES for 3-(5-quinolin-2-yltetrazol-2-yl)benzonitrile is N#Cc1cccc(-n2nnc(-c3ccc4ccccc4n3)n2)c1.
What is the InChIKey of 3-(5-quinolin-2-yltetrazol-2-yl)benzonitrile?
The InChIKey is KCVPXHBBGUBKFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10N6/c18-11-12-4-3-6-14(10-12)23-21-17(20-22-23)16-9-8-13-5-1-2-7-15(13)19-16/h1-10H.
What are the key properties of 3-(5-quinolin-2-yltetrazol-2-yl)benzonitrile?
3-(5-quinolin-2-yltetrazol-2-yl)benzonitrile has a molecular weight of 298.31 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-quinolin-2-yltetrazol-2-yl)benzonitrile is sourced from PubChem (CID 23158336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).