2-[(2-methyltetrazol-5-yl)methylsulfonyl]pyridin-3-amine

C8H10N6O2S — CID 107052242

IUPAC2-[(2-methyltetrazol-5-yl)methylsulfonyl]pyridin-3-amine
SMILESCn1nnc(CS(=O)(=O)c2ncccc2N)n1
InChIInChI=1S/C8H10N6O2S/c1-14-12-7(11-13-14)5-17(15,16)8-6(9)3-2-4-10-8/h2-4H,5,9H2,1H3
InChIKeyAGSYXVCRVBDUQO-UHFFFAOYSA-N
MW254.28 g/mol
LogP-0.84
Rot. Bonds3

About 2-[(2-methyltetrazol-5-yl)methylsulfonyl]pyridin-3-amine

2-[(2-methyltetrazol-5-yl)methylsulfonyl]pyridin-3-amine (PubChem CID 107052242) has the molecular formula C8H10N6O2S and a molecular weight of 254.28 g/mol. Its IUPAC name is 2-[(2-methyltetrazol-5-yl)methylsulfonyl]pyridin-3-amine.

Molecular Properties

Compound Name2-[(2-methyltetrazol-5-yl)methylsulfonyl]pyridin-3-amine
PubChem CID107052242
Molecular FormulaC8H10N6O2S
Molecular Weight254.28 g/mol
Exact Mass254.06
IUPAC Name2-[(2-methyltetrazol-5-yl)methylsulfonyl]pyridin-3-amine
SMILESCn1nnc(CS(=O)(=O)c2ncccc2N)n1
InChIInChI=1S/C8H10N6O2S/c1-14-12-7(11-13-14)5-17(15,16)8-6(9)3-2-4-10-8/h2-4H,5,9H2,1H3
InChIKeyAGSYXVCRVBDUQO-UHFFFAOYSA-N
XLogP-0.84
TPSA116.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 5-0.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyltetrazol-5-yl)methylsulfonyl]pyridin-3-amine?
The IUPAC name of 2-[(2-methyltetrazol-5-yl)methylsulfonyl]pyridin-3-amine (CID 107052242) is 2-[(2-methyltetrazol-5-yl)methylsulfonyl]pyridin-3-amine.
What is the SMILES notation for 2-[(2-methyltetrazol-5-yl)methylsulfonyl]pyridin-3-amine?
The canonical SMILES for 2-[(2-methyltetrazol-5-yl)methylsulfonyl]pyridin-3-amine is Cn1nnc(CS(=O)(=O)c2ncccc2N)n1.
What is the InChIKey of 2-[(2-methyltetrazol-5-yl)methylsulfonyl]pyridin-3-amine?
The InChIKey is AGSYXVCRVBDUQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N6O2S/c1-14-12-7(11-13-14)5-17(15,16)8-6(9)3-2-4-10-8/h2-4H,5,9H2,1H3.
What are the key properties of 2-[(2-methyltetrazol-5-yl)methylsulfonyl]pyridin-3-amine?
2-[(2-methyltetrazol-5-yl)methylsulfonyl]pyridin-3-amine has a molecular weight of 254.28 g/mol, XLogP of -0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyltetrazol-5-yl)methylsulfonyl]pyridin-3-amine is sourced from PubChem (CID 107052242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).