[2-methyl-6-(1-methyltetrazol-5-yl)sulfanyl-4-pyridinyl]methanamine

C9H12N6S — CID 114769847

IUPAC[2-methyl-6-(1-methyltetrazol-5-yl)sulfanyl-4-pyridinyl]methanamine
SMILESCc1cc(CN)cc(Sc2nnnn2C)n1
InChIInChI=1S/C9H12N6S/c1-6-3-7(5-10)4-8(11-6)16-9-12-13-14-15(9)2/h3-4H,5,10H2,1-2H3
InChIKeyZZQNGEMATOQUTK-UHFFFAOYSA-N
MW236.30 g/mol
LogP0.52
Rot. Bonds3

About [2-methyl-6-(1-methyltetrazol-5-yl)sulfanyl-4-pyridinyl]methanamine

[2-methyl-6-(1-methyltetrazol-5-yl)sulfanyl-4-pyridinyl]methanamine (PubChem CID 114769847) has the molecular formula C9H12N6S and a molecular weight of 236.30 g/mol. Its IUPAC name is [2-methyl-6-(1-methyltetrazol-5-yl)sulfanyl-4-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-methyl-6-(1-methyltetrazol-5-yl)sulfanyl-4-pyridinyl]methanamine
PubChem CID114769847
Molecular FormulaC9H12N6S
Molecular Weight236.30 g/mol
Exact Mass236.08
IUPAC Name[2-methyl-6-(1-methyltetrazol-5-yl)sulfanyl-4-pyridinyl]methanamine
SMILESCc1cc(CN)cc(Sc2nnnn2C)n1
InChIInChI=1S/C9H12N6S/c1-6-3-7(5-10)4-8(11-6)16-9-12-13-14-15(9)2/h3-4H,5,10H2,1-2H3
InChIKeyZZQNGEMATOQUTK-UHFFFAOYSA-N
XLogP0.52
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(1-cyclopropyltetrazol-5-yl)sulfanyl-6-methyl-4-pyridinyl]methanamine
CID 114769862
2-fluoro-4-methyl-6-(1-methyltetrazol-5-yl)sulfanylpyrimidine
CID 164645832
4-methyl-6-(1-methyltetrazol-5-yl)sulfanyl-N-propylpyrimidin-2-amine
CID 80887590
[2-(1-methyltetrazol-5-yl)sulfanylquinolin-4-yl]methanamine
CID 63885680
(2-methyl-6-phenylsulfanyl-4-pyridinyl)methanamine
CID 114769845
[2-methyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-4-pyridinyl]methanamine
CID 114769866
[2-(4-tert-butylphenyl)sulfanyl-6-methyl-4-pyridinyl]methanamine
CID 114769868
(2-methyl-6-pyrazin-2-ylsulfanyl-4-pyridinyl)methanamine
CID 114769896
[2-(3,4-dichlorophenyl)sulfanyl-6-methyl-4-pyridinyl]methanamine
CID 114769905
5-[[4-(aminomethyl)-6-methyl-2-pyridinyl]sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 114769899
6-(1-methyltetrazol-5-yl)sulfanylpyridin-2-amine
CID 80653445
[6-(1-methyltetrazol-5-yl)sulfanyl-4-(trifluoromethyl)-2-pyridinyl]hydrazine
CID 102721387

Frequently Asked Questions

What is the IUPAC name of [2-methyl-6-(1-methyltetrazol-5-yl)sulfanyl-4-pyridinyl]methanamine?
The IUPAC name of [2-methyl-6-(1-methyltetrazol-5-yl)sulfanyl-4-pyridinyl]methanamine (CID 114769847) is [2-methyl-6-(1-methyltetrazol-5-yl)sulfanyl-4-pyridinyl]methanamine.
What is the SMILES notation for [2-methyl-6-(1-methyltetrazol-5-yl)sulfanyl-4-pyridinyl]methanamine?
The canonical SMILES for [2-methyl-6-(1-methyltetrazol-5-yl)sulfanyl-4-pyridinyl]methanamine is Cc1cc(CN)cc(Sc2nnnn2C)n1.
What is the InChIKey of [2-methyl-6-(1-methyltetrazol-5-yl)sulfanyl-4-pyridinyl]methanamine?
The InChIKey is ZZQNGEMATOQUTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6S/c1-6-3-7(5-10)4-8(11-6)16-9-12-13-14-15(9)2/h3-4H,5,10H2,1-2H3.
What are the key properties of [2-methyl-6-(1-methyltetrazol-5-yl)sulfanyl-4-pyridinyl]methanamine?
[2-methyl-6-(1-methyltetrazol-5-yl)sulfanyl-4-pyridinyl]methanamine has a molecular weight of 236.30 g/mol, XLogP of 0.52, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-6-(1-methyltetrazol-5-yl)sulfanyl-4-pyridinyl]methanamine is sourced from PubChem (CID 114769847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).