N-methyl-6-(2H-tetrazol-5-yl)quinolin-4-amine

C11H10N6 — CID 166834588

IUPACN-methyl-6-(2H-tetrazol-5-yl)quinolin-4-amine
SMILESCNc1ccnc2ccc(-c3nn[nH]n3)cc12
InChIInChI=1S/C11H10N6/c1-12-9-4-5-13-10-3-2-7(6-8(9)10)11-14-16-17-15-11/h2-6H,1H3,(H,12,13)(H,14,15,16,17)
InChIKeyOFUPDDIHEGYHHS-UHFFFAOYSA-N
MW226.24 g/mol
LogP1.46
Rot. Bonds2

About N-methyl-6-(2H-tetrazol-5-yl)quinolin-4-amine

N-methyl-6-(2H-tetrazol-5-yl)quinolin-4-amine (PubChem CID 166834588) has the molecular formula C11H10N6 and a molecular weight of 226.24 g/mol. Its IUPAC name is N-methyl-6-(2H-tetrazol-5-yl)quinolin-4-amine.

Molecular Properties

Compound NameN-methyl-6-(2H-tetrazol-5-yl)quinolin-4-amine
PubChem CID166834588
Molecular FormulaC11H10N6
Molecular Weight226.24 g/mol
Exact Mass226.10
IUPAC NameN-methyl-6-(2H-tetrazol-5-yl)quinolin-4-amine
SMILESCNc1ccnc2ccc(-c3nn[nH]n3)cc12
InChIInChI=1S/C11H10N6/c1-12-9-4-5-13-10-3-2-7(6-8(9)10)11-14-16-17-15-11/h2-6H,1H3,(H,12,13)(H,14,15,16,17)
InChIKeyOFUPDDIHEGYHHS-UHFFFAOYSA-N
XLogP1.46
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-6-(2H-tetrazol-5-yl)quinolin-4-amine?
The IUPAC name of N-methyl-6-(2H-tetrazol-5-yl)quinolin-4-amine (CID 166834588) is N-methyl-6-(2H-tetrazol-5-yl)quinolin-4-amine.
What is the SMILES notation for N-methyl-6-(2H-tetrazol-5-yl)quinolin-4-amine?
The canonical SMILES for N-methyl-6-(2H-tetrazol-5-yl)quinolin-4-amine is CNc1ccnc2ccc(-c3nn[nH]n3)cc12.
What is the InChIKey of N-methyl-6-(2H-tetrazol-5-yl)quinolin-4-amine?
The InChIKey is OFUPDDIHEGYHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N6/c1-12-9-4-5-13-10-3-2-7(6-8(9)10)11-14-16-17-15-11/h2-6H,1H3,(H,12,13)(H,14,15,16,17).
What are the key properties of N-methyl-6-(2H-tetrazol-5-yl)quinolin-4-amine?
N-methyl-6-(2H-tetrazol-5-yl)quinolin-4-amine has a molecular weight of 226.24 g/mol, XLogP of 1.46, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-(2H-tetrazol-5-yl)quinolin-4-amine is sourced from PubChem (CID 166834588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).