1-ethyl-N-[(3-methylthiophen-2-yl)methyl]tetrazol-5-amine

C9H13N5S — CID 4727496

IUPAC1-ethyl-N-[(3-methylthiophen-2-yl)methyl]tetrazol-5-amine
SMILESCCn1nnnc1NCc1sccc1C
InChIInChI=1S/C9H13N5S/c1-3-14-9(11-12-13-14)10-6-8-7(2)4-5-15-8/h4-5H,3,6H2,1-2H3,(H,10,11,13)
InChIKeyWFVNZUGXTMDGPL-UHFFFAOYSA-N
MW223.31 g/mol
LogP1.68
Rot. Bonds4

About 1-ethyl-N-[(3-methylthiophen-2-yl)methyl]tetrazol-5-amine

1-ethyl-N-[(3-methylthiophen-2-yl)methyl]tetrazol-5-amine (PubChem CID 4727496) has the molecular formula C9H13N5S and a molecular weight of 223.31 g/mol. Its IUPAC name is 1-ethyl-N-[(3-methylthiophen-2-yl)methyl]tetrazol-5-amine.

Molecular Properties

Compound Name1-ethyl-N-[(3-methylthiophen-2-yl)methyl]tetrazol-5-amine
PubChem CID4727496
Molecular FormulaC9H13N5S
Molecular Weight223.31 g/mol
Exact Mass223.09
IUPAC Name1-ethyl-N-[(3-methylthiophen-2-yl)methyl]tetrazol-5-amine
SMILESCCn1nnnc1NCc1sccc1C
InChIInChI=1S/C9H13N5S/c1-3-14-9(11-12-13-14)10-6-8-7(2)4-5-15-8/h4-5H,3,6H2,1-2H3,(H,10,11,13)
InChIKeyWFVNZUGXTMDGPL-UHFFFAOYSA-N
XLogP1.68
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.31
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[(3-methylthiophen-2-yl)methyl]tetrazol-5-amine?
The IUPAC name of 1-ethyl-N-[(3-methylthiophen-2-yl)methyl]tetrazol-5-amine (CID 4727496) is 1-ethyl-N-[(3-methylthiophen-2-yl)methyl]tetrazol-5-amine.
What is the SMILES notation for 1-ethyl-N-[(3-methylthiophen-2-yl)methyl]tetrazol-5-amine?
The canonical SMILES for 1-ethyl-N-[(3-methylthiophen-2-yl)methyl]tetrazol-5-amine is CCn1nnnc1NCc1sccc1C.
What is the InChIKey of 1-ethyl-N-[(3-methylthiophen-2-yl)methyl]tetrazol-5-amine?
The InChIKey is WFVNZUGXTMDGPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5S/c1-3-14-9(11-12-13-14)10-6-8-7(2)4-5-15-8/h4-5H,3,6H2,1-2H3,(H,10,11,13).
What are the key properties of 1-ethyl-N-[(3-methylthiophen-2-yl)methyl]tetrazol-5-amine?
1-ethyl-N-[(3-methylthiophen-2-yl)methyl]tetrazol-5-amine has a molecular weight of 223.31 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[(3-methylthiophen-2-yl)methyl]tetrazol-5-amine is sourced from PubChem (CID 4727496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).