3-(2H-tetrazol-5-yl)quinolin-2-amine

C10H8N6 — CID 175802338

IUPAC3-(2H-tetrazol-5-yl)quinolin-2-amine
SMILESNc1nc2ccccc2cc1-c1nn[nH]n1
InChIInChI=1S/C10H8N6/c11-9-7(10-13-15-16-14-10)5-6-3-1-2-4-8(6)12-9/h1-5H,(H2,11,12)(H,13,14,15,16)
InChIKeyZBJQUWMQRPEUKE-UHFFFAOYSA-N
MW212.22 g/mol
LogP1.00
Rot. Bonds1

About 3-(2H-tetrazol-5-yl)quinolin-2-amine

3-(2H-tetrazol-5-yl)quinolin-2-amine (PubChem CID 175802338) has the molecular formula C10H8N6 and a molecular weight of 212.22 g/mol. Its IUPAC name is 3-(2H-tetrazol-5-yl)quinolin-2-amine.

Molecular Properties

Compound Name3-(2H-tetrazol-5-yl)quinolin-2-amine
PubChem CID175802338
Molecular FormulaC10H8N6
Molecular Weight212.22 g/mol
Exact Mass212.08
IUPAC Name3-(2H-tetrazol-5-yl)quinolin-2-amine
SMILESNc1nc2ccccc2cc1-c1nn[nH]n1
InChIInChI=1S/C10H8N6/c11-9-7(10-13-15-16-14-10)5-6-3-1-2-4-8(6)12-9/h1-5H,(H2,11,12)(H,13,14,15,16)
InChIKeyZBJQUWMQRPEUKE-UHFFFAOYSA-N
XLogP1.00
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.22
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2H-tetrazol-5-yl)quinolin-2-amine?
The IUPAC name of 3-(2H-tetrazol-5-yl)quinolin-2-amine (CID 175802338) is 3-(2H-tetrazol-5-yl)quinolin-2-amine.
What is the SMILES notation for 3-(2H-tetrazol-5-yl)quinolin-2-amine?
The canonical SMILES for 3-(2H-tetrazol-5-yl)quinolin-2-amine is Nc1nc2ccccc2cc1-c1nn[nH]n1.
What is the InChIKey of 3-(2H-tetrazol-5-yl)quinolin-2-amine?
The InChIKey is ZBJQUWMQRPEUKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N6/c11-9-7(10-13-15-16-14-10)5-6-3-1-2-4-8(6)12-9/h1-5H,(H2,11,12)(H,13,14,15,16).
What are the key properties of 3-(2H-tetrazol-5-yl)quinolin-2-amine?
3-(2H-tetrazol-5-yl)quinolin-2-amine has a molecular weight of 212.22 g/mol, XLogP of 1.00, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2H-tetrazol-5-yl)quinolin-2-amine is sourced from PubChem (CID 175802338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).