5-(pyridin-2-ylmethylsulfanyl)tetrazol-1-amine

C7H8N6S — CID 13470595

IUPAC5-(pyridin-2-ylmethylsulfanyl)tetrazol-1-amine
SMILESNn1nnnc1SCc1ccccn1
InChIInChI=1S/C7H8N6S/c8-13-7(10-11-12-13)14-5-6-3-1-2-4-9-6/h1-4H,5,8H2
InChIKeyCDHGPZJBGXXCGM-UHFFFAOYSA-N
MW208.25 g/mol
LogP0.07
Rot. Bonds3

About 5-(pyridin-2-ylmethylsulfanyl)tetrazol-1-amine

5-(pyridin-2-ylmethylsulfanyl)tetrazol-1-amine (PubChem CID 13470595) has the molecular formula C7H8N6S and a molecular weight of 208.25 g/mol. Its IUPAC name is 5-(pyridin-2-ylmethylsulfanyl)tetrazol-1-amine.

Molecular Properties

Compound Name5-(pyridin-2-ylmethylsulfanyl)tetrazol-1-amine
PubChem CID13470595
Molecular FormulaC7H8N6S
Molecular Weight208.25 g/mol
Exact Mass208.05
IUPAC Name5-(pyridin-2-ylmethylsulfanyl)tetrazol-1-amine
SMILESNn1nnnc1SCc1ccccn1
InChIInChI=1S/C7H8N6S/c8-13-7(10-11-12-13)14-5-6-3-1-2-4-9-6/h1-4H,5,8H2
InChIKeyCDHGPZJBGXXCGM-UHFFFAOYSA-N
XLogP0.07
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.25
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]pyridine
CID 18122497
2-[[4-(pyridin-2-ylmethylsulfanyl)phenyl]sulfanylmethyl]pyridine
CID 86021150
2-[3-(1-methyltetrazol-5-yl)sulfanylpropylsulfanylmethyl]pyridine
CID 13061964
6-(pyridin-2-ylmethylsulfanyl)pyridazin-3-amine
CID 15032613
2-(pyridin-2-ylmethylsulfanylmethyl)pyridine
CID 12047870
4-chloro-1-(1-methyltetrazol-5-yl)-2-(pyridin-2-ylmethylsulfanyl)benzimidazole
CID 135230272
3-(pyridin-2-ylmethylsulfanyl)pyrazin-2-amine
CID 106679150
2-(pyridin-4-ylsulfanylmethyl)pyridine;dihydrochloride
CID 13058753
3-chloro-4-(pyridin-2-ylmethylsulfanyl)aniline
CID 19814400
2-[[5-(4-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]pyridine
CID 35532260
6-(4-bromophenyl)-3-(pyridin-2-ylmethylsulfanyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 16800559
2-[(2,3,4,5,6-pentafluorophenyl)sulfanylmethyl]pyridine;hydrochloride
CID 12760224

Frequently Asked Questions

What is the IUPAC name of 5-(pyridin-2-ylmethylsulfanyl)tetrazol-1-amine?
The IUPAC name of 5-(pyridin-2-ylmethylsulfanyl)tetrazol-1-amine (CID 13470595) is 5-(pyridin-2-ylmethylsulfanyl)tetrazol-1-amine.
What is the SMILES notation for 5-(pyridin-2-ylmethylsulfanyl)tetrazol-1-amine?
The canonical SMILES for 5-(pyridin-2-ylmethylsulfanyl)tetrazol-1-amine is Nn1nnnc1SCc1ccccn1.
What is the InChIKey of 5-(pyridin-2-ylmethylsulfanyl)tetrazol-1-amine?
The InChIKey is CDHGPZJBGXXCGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N6S/c8-13-7(10-11-12-13)14-5-6-3-1-2-4-9-6/h1-4H,5,8H2.
What are the key properties of 5-(pyridin-2-ylmethylsulfanyl)tetrazol-1-amine?
5-(pyridin-2-ylmethylsulfanyl)tetrazol-1-amine has a molecular weight of 208.25 g/mol, XLogP of 0.07, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(pyridin-2-ylmethylsulfanyl)tetrazol-1-amine is sourced from PubChem (CID 13470595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).