[5-methyl-4-(1,2,4-triazol-1-ylmethyl)thiophen-2-yl]methanamine

C9H12N4S — CID 80729759

IUPAC[5-methyl-4-(1,2,4-triazol-1-ylmethyl)thiophen-2-yl]methanamine
SMILESCc1sc(CN)cc1Cn1cncn1
InChIInChI=1S/C9H12N4S/c1-7-8(2-9(3-10)14-7)4-13-6-11-5-12-13/h2,5-6H,3-4,10H2,1H3
InChIKeyCJNPYFACIHDZJU-UHFFFAOYSA-N
MW208.29 g/mol
LogP1.16
Rot. Bonds3

About [5-methyl-4-(1,2,4-triazol-1-ylmethyl)thiophen-2-yl]methanamine

[5-methyl-4-(1,2,4-triazol-1-ylmethyl)thiophen-2-yl]methanamine (PubChem CID 80729759) has the molecular formula C9H12N4S and a molecular weight of 208.29 g/mol. Its IUPAC name is [5-methyl-4-(1,2,4-triazol-1-ylmethyl)thiophen-2-yl]methanamine.

Molecular Properties

Compound Name[5-methyl-4-(1,2,4-triazol-1-ylmethyl)thiophen-2-yl]methanamine
PubChem CID80729759
Molecular FormulaC9H12N4S
Molecular Weight208.29 g/mol
Exact Mass208.08
IUPAC Name[5-methyl-4-(1,2,4-triazol-1-ylmethyl)thiophen-2-yl]methanamine
SMILESCc1sc(CN)cc1Cn1cncn1
InChIInChI=1S/C9H12N4S/c1-7-8(2-9(3-10)14-7)4-13-6-11-5-12-13/h2,5-6H,3-4,10H2,1H3
InChIKeyCJNPYFACIHDZJU-UHFFFAOYSA-N
XLogP1.16
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-methyl-4-(1,2,4-triazol-1-ylmethyl)thiophen-2-yl]methanamine?
The IUPAC name of [5-methyl-4-(1,2,4-triazol-1-ylmethyl)thiophen-2-yl]methanamine (CID 80729759) is [5-methyl-4-(1,2,4-triazol-1-ylmethyl)thiophen-2-yl]methanamine.
What is the SMILES notation for [5-methyl-4-(1,2,4-triazol-1-ylmethyl)thiophen-2-yl]methanamine?
The canonical SMILES for [5-methyl-4-(1,2,4-triazol-1-ylmethyl)thiophen-2-yl]methanamine is Cc1sc(CN)cc1Cn1cncn1.
What is the InChIKey of [5-methyl-4-(1,2,4-triazol-1-ylmethyl)thiophen-2-yl]methanamine?
The InChIKey is CJNPYFACIHDZJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4S/c1-7-8(2-9(3-10)14-7)4-13-6-11-5-12-13/h2,5-6H,3-4,10H2,1H3.
What are the key properties of [5-methyl-4-(1,2,4-triazol-1-ylmethyl)thiophen-2-yl]methanamine?
[5-methyl-4-(1,2,4-triazol-1-ylmethyl)thiophen-2-yl]methanamine has a molecular weight of 208.29 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-4-(1,2,4-triazol-1-ylmethyl)thiophen-2-yl]methanamine is sourced from PubChem (CID 80729759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).