1-[(5-methylthiophen-3-yl)methyl]triazol-4-amine

C8H10N4S — CID 126981740

IUPAC1-[(5-methylthiophen-3-yl)methyl]triazol-4-amine
SMILESCc1cc(Cn2cc(N)nn2)cs1
InChIInChI=1S/C8H10N4S/c1-6-2-7(5-13-6)3-12-4-8(9)10-11-12/h2,4-5H,3,9H2,1H3
InChIKeyJDSDCUKLNCVDDR-UHFFFAOYSA-N
MW194.26 g/mol
LogP1.28
Rot. Bonds2

About 1-[(5-methylthiophen-3-yl)methyl]triazol-4-amine

1-[(5-methylthiophen-3-yl)methyl]triazol-4-amine (PubChem CID 126981740) has the molecular formula C8H10N4S and a molecular weight of 194.26 g/mol. Its IUPAC name is 1-[(5-methylthiophen-3-yl)methyl]triazol-4-amine.

Molecular Properties

Compound Name1-[(5-methylthiophen-3-yl)methyl]triazol-4-amine
PubChem CID126981740
Molecular FormulaC8H10N4S
Molecular Weight194.26 g/mol
Exact Mass194.06
IUPAC Name1-[(5-methylthiophen-3-yl)methyl]triazol-4-amine
SMILESCc1cc(Cn2cc(N)nn2)cs1
InChIInChI=1S/C8H10N4S/c1-6-2-7(5-13-6)3-12-4-8(9)10-11-12/h2,4-5H,3,9H2,1H3
InChIKeyJDSDCUKLNCVDDR-UHFFFAOYSA-N
XLogP1.28
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-methylthiophen-3-yl)methyl]triazol-4-amine?
The IUPAC name of 1-[(5-methylthiophen-3-yl)methyl]triazol-4-amine (CID 126981740) is 1-[(5-methylthiophen-3-yl)methyl]triazol-4-amine.
What is the SMILES notation for 1-[(5-methylthiophen-3-yl)methyl]triazol-4-amine?
The canonical SMILES for 1-[(5-methylthiophen-3-yl)methyl]triazol-4-amine is Cc1cc(Cn2cc(N)nn2)cs1.
What is the InChIKey of 1-[(5-methylthiophen-3-yl)methyl]triazol-4-amine?
The InChIKey is JDSDCUKLNCVDDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4S/c1-6-2-7(5-13-6)3-12-4-8(9)10-11-12/h2,4-5H,3,9H2,1H3.
What are the key properties of 1-[(5-methylthiophen-3-yl)methyl]triazol-4-amine?
1-[(5-methylthiophen-3-yl)methyl]triazol-4-amine has a molecular weight of 194.26 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methylthiophen-3-yl)methyl]triazol-4-amine is sourced from PubChem (CID 126981740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).