8-[(1-methyltetrazol-5-yl)sulfanylmethyl]quinolin-5-amine

C12H12N6S — CID 43376990

IUPAC8-[(1-methyltetrazol-5-yl)sulfanylmethyl]quinolin-5-amine
SMILESCn1nnnc1SCc1ccc(N)c2cccnc12
InChIInChI=1S/C12H12N6S/c1-18-12(15-16-17-18)19-7-8-4-5-10(13)9-3-2-6-14-11(8)9/h2-6H,7,13H2,1H3
InChIKeyZNLFIQZQCYPNBH-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.63
Rot. Bonds3

About 8-[(1-methyltetrazol-5-yl)sulfanylmethyl]quinolin-5-amine

8-[(1-methyltetrazol-5-yl)sulfanylmethyl]quinolin-5-amine (PubChem CID 43376990) has the molecular formula C12H12N6S and a molecular weight of 272.34 g/mol. Its IUPAC name is 8-[(1-methyltetrazol-5-yl)sulfanylmethyl]quinolin-5-amine.

Molecular Properties

Compound Name8-[(1-methyltetrazol-5-yl)sulfanylmethyl]quinolin-5-amine
PubChem CID43376990
Molecular FormulaC12H12N6S
Molecular Weight272.34 g/mol
Exact Mass272.08
IUPAC Name8-[(1-methyltetrazol-5-yl)sulfanylmethyl]quinolin-5-amine
SMILESCn1nnnc1SCc1ccc(N)c2cccnc12
InChIInChI=1S/C12H12N6S/c1-18-12(15-16-17-18)19-7-8-4-5-10(13)9-3-2-6-14-11(8)9/h2-6H,7,13H2,1H3
InChIKeyZNLFIQZQCYPNBH-UHFFFAOYSA-N
XLogP1.63
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 ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-chloro-8-[(1-propan-2-yltetrazol-5-yl)sulfanylmethyl]quinoline
CID 38875747
8-[(3-methylphenyl)sulfanylmethyl]quinolin-5-amine
CID 61244156
3-amino-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]benzamide
CID 43376992
8-[(2,5-difluorophenyl)sulfanylmethyl]quinolin-5-amine
CID 43518973
4-chloro-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]aniline
CID 43350210
5-chloro-8-[[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]quinoline
CID 38873350
6-[(1-methyltetrazol-5-yl)sulfanylmethyl]phenanthridine
CID 23965795
3-[(5-aminoquinolin-8-yl)methylsulfanyl]-2-methylpropan-1-ol
CID 66104423
2-[2-[(1-methyltetrazol-5-yl)sulfanylmethyl]phenyl]acetic acid
CID 115460822
[4-[(1-methyltetrazol-5-yl)sulfanylmethyl]-2-pyridinyl]methanamine
CID 63882476
8-[[methoxy(methyl)amino]methyl]quinolin-5-amine
CID 43627608
1-[(5-aminoquinolin-8-yl)methyl]-3-methylimidazolidin-2-one
CID 62490120

Frequently Asked Questions

What is the IUPAC name of 8-[(1-methyltetrazol-5-yl)sulfanylmethyl]quinolin-5-amine?
The IUPAC name of 8-[(1-methyltetrazol-5-yl)sulfanylmethyl]quinolin-5-amine (CID 43376990) is 8-[(1-methyltetrazol-5-yl)sulfanylmethyl]quinolin-5-amine.
What is the SMILES notation for 8-[(1-methyltetrazol-5-yl)sulfanylmethyl]quinolin-5-amine?
The canonical SMILES for 8-[(1-methyltetrazol-5-yl)sulfanylmethyl]quinolin-5-amine is Cn1nnnc1SCc1ccc(N)c2cccnc12.
What is the InChIKey of 8-[(1-methyltetrazol-5-yl)sulfanylmethyl]quinolin-5-amine?
The InChIKey is ZNLFIQZQCYPNBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6S/c1-18-12(15-16-17-18)19-7-8-4-5-10(13)9-3-2-6-14-11(8)9/h2-6H,7,13H2,1H3.
What are the key properties of 8-[(1-methyltetrazol-5-yl)sulfanylmethyl]quinolin-5-amine?
8-[(1-methyltetrazol-5-yl)sulfanylmethyl]quinolin-5-amine has a molecular weight of 272.34 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(1-methyltetrazol-5-yl)sulfanylmethyl]quinolin-5-amine is sourced from PubChem (CID 43376990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).