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

C8H11N5S — CID 4712769

IUPAC1-methyl-N-[(5-methylthiophen-2-yl)methyl]tetrazol-5-amine
SMILESCc1ccc(CNc2nnnn2C)s1
InChIInChI=1S/C8H11N5S/c1-6-3-4-7(14-6)5-9-8-10-11-12-13(8)2/h3-4H,5H2,1-2H3,(H,9,10,12)
InChIKeyMOIONIOMHHTXSH-UHFFFAOYSA-N
MW209.28 g/mol
LogP1.19
Rot. Bonds3

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

1-methyl-N-[(5-methylthiophen-2-yl)methyl]tetrazol-5-amine (PubChem CID 4712769) has the molecular formula C8H11N5S and a molecular weight of 209.28 g/mol. Its IUPAC name is 1-methyl-N-[(5-methylthiophen-2-yl)methyl]tetrazol-5-amine.

Molecular Properties

Compound Name1-methyl-N-[(5-methylthiophen-2-yl)methyl]tetrazol-5-amine
PubChem CID4712769
Molecular FormulaC8H11N5S
Molecular Weight209.28 g/mol
Exact Mass209.07
IUPAC Name1-methyl-N-[(5-methylthiophen-2-yl)methyl]tetrazol-5-amine
SMILESCc1ccc(CNc2nnnn2C)s1
InChIInChI=1S/C8H11N5S/c1-6-3-4-7(14-6)5-9-8-10-11-12-13(8)2/h3-4H,5H2,1-2H3,(H,9,10,12)
InChIKeyMOIONIOMHHTXSH-UHFFFAOYSA-N
XLogP1.19
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.28
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(5-methylthiophen-2-yl)methyl]tetrazol-5-amine?
The IUPAC name of 1-methyl-N-[(5-methylthiophen-2-yl)methyl]tetrazol-5-amine (CID 4712769) is 1-methyl-N-[(5-methylthiophen-2-yl)methyl]tetrazol-5-amine.
What is the SMILES notation for 1-methyl-N-[(5-methylthiophen-2-yl)methyl]tetrazol-5-amine?
The canonical SMILES for 1-methyl-N-[(5-methylthiophen-2-yl)methyl]tetrazol-5-amine is Cc1ccc(CNc2nnnn2C)s1.
What is the InChIKey of 1-methyl-N-[(5-methylthiophen-2-yl)methyl]tetrazol-5-amine?
The InChIKey is MOIONIOMHHTXSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5S/c1-6-3-4-7(14-6)5-9-8-10-11-12-13(8)2/h3-4H,5H2,1-2H3,(H,9,10,12).
What are the key properties of 1-methyl-N-[(5-methylthiophen-2-yl)methyl]tetrazol-5-amine?
1-methyl-N-[(5-methylthiophen-2-yl)methyl]tetrazol-5-amine has a molecular weight of 209.28 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(5-methylthiophen-2-yl)methyl]tetrazol-5-amine is sourced from PubChem (CID 4712769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).