1-ethyl-N-(thiophen-3-ylmethyl)tetrazol-5-amine

C8H11N5S — CID 4727838

IUPAC1-ethyl-N-(thiophen-3-ylmethyl)tetrazol-5-amine
SMILESCCn1nnnc1NCc1ccsc1
InChIInChI=1S/C8H11N5S/c1-2-13-8(10-11-12-13)9-5-7-3-4-14-6-7/h3-4,6H,2,5H2,1H3,(H,9,10,12)
InChIKeyKVLVXQFUTRQQMR-UHFFFAOYSA-N
MW209.28 g/mol
LogP1.37
Rot. Bonds4

About 1-ethyl-N-(thiophen-3-ylmethyl)tetrazol-5-amine

1-ethyl-N-(thiophen-3-ylmethyl)tetrazol-5-amine (PubChem CID 4727838) has the molecular formula C8H11N5S and a molecular weight of 209.28 g/mol. Its IUPAC name is 1-ethyl-N-(thiophen-3-ylmethyl)tetrazol-5-amine.

Molecular Properties

Compound Name1-ethyl-N-(thiophen-3-ylmethyl)tetrazol-5-amine
PubChem CID4727838
Molecular FormulaC8H11N5S
Molecular Weight209.28 g/mol
Exact Mass209.07
IUPAC Name1-ethyl-N-(thiophen-3-ylmethyl)tetrazol-5-amine
SMILESCCn1nnnc1NCc1ccsc1
InChIInChI=1S/C8H11N5S/c1-2-13-8(10-11-12-13)9-5-7-3-4-14-6-7/h3-4,6H,2,5H2,1H3,(H,9,10,12)
InChIKeyKVLVXQFUTRQQMR-UHFFFAOYSA-N
XLogP1.37
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.28
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(thiophen-3-ylmethyl)tetrazol-5-amine?
The IUPAC name of 1-ethyl-N-(thiophen-3-ylmethyl)tetrazol-5-amine (CID 4727838) is 1-ethyl-N-(thiophen-3-ylmethyl)tetrazol-5-amine.
What is the SMILES notation for 1-ethyl-N-(thiophen-3-ylmethyl)tetrazol-5-amine?
The canonical SMILES for 1-ethyl-N-(thiophen-3-ylmethyl)tetrazol-5-amine is CCn1nnnc1NCc1ccsc1.
What is the InChIKey of 1-ethyl-N-(thiophen-3-ylmethyl)tetrazol-5-amine?
The InChIKey is KVLVXQFUTRQQMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5S/c1-2-13-8(10-11-12-13)9-5-7-3-4-14-6-7/h3-4,6H,2,5H2,1H3,(H,9,10,12).
What are the key properties of 1-ethyl-N-(thiophen-3-ylmethyl)tetrazol-5-amine?
1-ethyl-N-(thiophen-3-ylmethyl)tetrazol-5-amine has a molecular weight of 209.28 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(thiophen-3-ylmethyl)tetrazol-5-amine is sourced from PubChem (CID 4727838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).