[2-(1-methyltetrazol-5-yl)sulfanylquinolin-4-yl]methanamine

C12H12N6S — CID 63885680

IUPAC[2-(1-methyltetrazol-5-yl)sulfanylquinolin-4-yl]methanamine
SMILESCn1nnnc1Sc1cc(CN)c2ccccc2n1
InChIInChI=1S/C12H12N6S/c1-18-12(15-16-17-18)19-11-6-8(7-13)9-4-2-3-5-10(9)14-11/h2-6H,7,13H2,1H3
InChIKeyPAUPTXGGWRYHLA-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.37
Rot. Bonds3

About [2-(1-methyltetrazol-5-yl)sulfanylquinolin-4-yl]methanamine

[2-(1-methyltetrazol-5-yl)sulfanylquinolin-4-yl]methanamine (PubChem CID 63885680) has the molecular formula C12H12N6S and a molecular weight of 272.34 g/mol. Its IUPAC name is [2-(1-methyltetrazol-5-yl)sulfanylquinolin-4-yl]methanamine.

Molecular Properties

Compound Name[2-(1-methyltetrazol-5-yl)sulfanylquinolin-4-yl]methanamine
PubChem CID63885680
Molecular FormulaC12H12N6S
Molecular Weight272.34 g/mol
Exact Mass272.08
IUPAC Name[2-(1-methyltetrazol-5-yl)sulfanylquinolin-4-yl]methanamine
SMILESCn1nnnc1Sc1cc(CN)c2ccccc2n1
InChIInChI=1S/C12H12N6S/c1-18-12(15-16-17-18)19-11-6-8(7-13)9-4-2-3-5-10(9)14-11/h2-6H,7,13H2,1H3
InChIKeyPAUPTXGGWRYHLA-UHFFFAOYSA-N
XLogP1.37
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-(1-methyltetrazol-5-yl)sulfanylquinolin-4-yl]methanamine?
The IUPAC name of [2-(1-methyltetrazol-5-yl)sulfanylquinolin-4-yl]methanamine (CID 63885680) is [2-(1-methyltetrazol-5-yl)sulfanylquinolin-4-yl]methanamine.
What is the SMILES notation for [2-(1-methyltetrazol-5-yl)sulfanylquinolin-4-yl]methanamine?
The canonical SMILES for [2-(1-methyltetrazol-5-yl)sulfanylquinolin-4-yl]methanamine is Cn1nnnc1Sc1cc(CN)c2ccccc2n1.
What is the InChIKey of [2-(1-methyltetrazol-5-yl)sulfanylquinolin-4-yl]methanamine?
The InChIKey is PAUPTXGGWRYHLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6S/c1-18-12(15-16-17-18)19-11-6-8(7-13)9-4-2-3-5-10(9)14-11/h2-6H,7,13H2,1H3.
What are the key properties of [2-(1-methyltetrazol-5-yl)sulfanylquinolin-4-yl]methanamine?
[2-(1-methyltetrazol-5-yl)sulfanylquinolin-4-yl]methanamine has a molecular weight of 272.34 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-methyltetrazol-5-yl)sulfanylquinolin-4-yl]methanamine is sourced from PubChem (CID 63885680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).