[2-(thiophen-2-ylmethyl)tetrazol-5-yl]methanamine

C7H9N5S — CID 83531293

IUPAC[2-(thiophen-2-ylmethyl)tetrazol-5-yl]methanamine
SMILESNCc1nnn(Cc2cccs2)n1
InChIInChI=1S/C7H9N5S/c8-4-7-9-11-12(10-7)5-6-2-1-3-13-6/h1-3H,4-5,8H2
InChIKeyAJXAGSLILRMVTA-UHFFFAOYSA-N
MW195.25 g/mol
LogP0.24
Rot. Bonds3

About [2-(thiophen-2-ylmethyl)tetrazol-5-yl]methanamine

[2-(thiophen-2-ylmethyl)tetrazol-5-yl]methanamine (PubChem CID 83531293) has the molecular formula C7H9N5S and a molecular weight of 195.25 g/mol. Its IUPAC name is [2-(thiophen-2-ylmethyl)tetrazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(thiophen-2-ylmethyl)tetrazol-5-yl]methanamine
PubChem CID83531293
Molecular FormulaC7H9N5S
Molecular Weight195.25 g/mol
Exact Mass195.06
IUPAC Name[2-(thiophen-2-ylmethyl)tetrazol-5-yl]methanamine
SMILESNCc1nnn(Cc2cccs2)n1
InChIInChI=1S/C7H9N5S/c8-4-7-9-11-12(10-7)5-6-2-1-3-13-6/h1-3H,4-5,8H2
InChIKeyAJXAGSLILRMVTA-UHFFFAOYSA-N
XLogP0.24
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.25
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[(5-chlorothiophen-2-yl)methyl]tetrazol-5-yl]methanamine
CID 83644151
[2-[(5-methylfuran-2-yl)methyl]tetrazol-5-yl]methanamine
CID 83637113
[2-[(4-butylphenyl)methyl]tetrazol-5-yl]methanamine
CID 112518474
4-(2-chloroethyl)-1-(thiophen-2-ylmethyl)triazole
CID 62400654
4-[1-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]aniline
CID 113384251
5-propan-2-yl-3-[(5-thiophen-2-yltetrazol-2-yl)methyl]-1,2,4-oxadiazole
CID 97019005
[1-(2-thiophen-2-ylethyl)imidazol-4-yl]methanamine
CID 82470461
3-[[5-(2-bromophenyl)tetrazol-2-yl]methyl]-5-thiophen-2-yl-1,2-oxazole
CID 8809937
anthracene;thiophen-2-ylmethanamine
CID 175494003
[1-(thiophen-2-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methanamine
CID 66414124
5-phenyl-1-(thiophen-2-ylmethyl)triazole-4-carboxylic acid
CID 102642594
3-[[5-(4-propan-2-ylphenyl)tetrazol-2-yl]methyl]-5-thiophen-2-yl-1,2-oxazole
CID 8643011

Frequently Asked Questions

What is the IUPAC name of [2-(thiophen-2-ylmethyl)tetrazol-5-yl]methanamine?
The IUPAC name of [2-(thiophen-2-ylmethyl)tetrazol-5-yl]methanamine (CID 83531293) is [2-(thiophen-2-ylmethyl)tetrazol-5-yl]methanamine.
What is the SMILES notation for [2-(thiophen-2-ylmethyl)tetrazol-5-yl]methanamine?
The canonical SMILES for [2-(thiophen-2-ylmethyl)tetrazol-5-yl]methanamine is NCc1nnn(Cc2cccs2)n1.
What is the InChIKey of [2-(thiophen-2-ylmethyl)tetrazol-5-yl]methanamine?
The InChIKey is AJXAGSLILRMVTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5S/c8-4-7-9-11-12(10-7)5-6-2-1-3-13-6/h1-3H,4-5,8H2.
What are the key properties of [2-(thiophen-2-ylmethyl)tetrazol-5-yl]methanamine?
[2-(thiophen-2-ylmethyl)tetrazol-5-yl]methanamine has a molecular weight of 195.25 g/mol, XLogP of 0.24, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(thiophen-2-ylmethyl)tetrazol-5-yl]methanamine is sourced from PubChem (CID 83531293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).