5-methyl-3-(4-propyl-1,2,4-triazol-3-yl)thiophen-2-amine

C10H14N4S — CID 63619258

IUPAC5-methyl-3-(4-propyl-1,2,4-triazol-3-yl)thiophen-2-amine
SMILESCCCn1cnnc1-c1cc(C)sc1N
InChIInChI=1S/C10H14N4S/c1-3-4-14-6-12-13-10(14)8-5-7(2)15-9(8)11/h5-6H,3-4,11H2,1-2H3
InChIKeyAWZQHOZFMGHZLU-UHFFFAOYSA-N
MW222.32 g/mol
LogP2.31
Rot. Bonds3

About 5-methyl-3-(4-propyl-1,2,4-triazol-3-yl)thiophen-2-amine

5-methyl-3-(4-propyl-1,2,4-triazol-3-yl)thiophen-2-amine (PubChem CID 63619258) has the molecular formula C10H14N4S and a molecular weight of 222.32 g/mol. Its IUPAC name is 5-methyl-3-(4-propyl-1,2,4-triazol-3-yl)thiophen-2-amine.

Molecular Properties

Compound Name5-methyl-3-(4-propyl-1,2,4-triazol-3-yl)thiophen-2-amine
PubChem CID63619258
Molecular FormulaC10H14N4S
Molecular Weight222.32 g/mol
Exact Mass222.09
IUPAC Name5-methyl-3-(4-propyl-1,2,4-triazol-3-yl)thiophen-2-amine
SMILESCCCn1cnnc1-c1cc(C)sc1N
InChIInChI=1S/C10H14N4S/c1-3-4-14-6-12-13-10(14)8-5-7(2)15-9(8)11/h5-6H,3-4,11H2,1-2H3
InChIKeyAWZQHOZFMGHZLU-UHFFFAOYSA-N
XLogP2.31
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.32
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-2-(4-propyl-1,2,4-triazol-3-yl)aniline
CID 62694681
3-(2,5-difluorophenyl)-4-propyl-1,2,4-triazole
CID 115395120
3-(5-bromothiophen-2-yl)-4-propyl-1,2,4-triazole
CID 115395179
4-(4-propyl-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine
CID 62808225
2-fluoro-5-(4-propyl-1,2,4-triazol-3-yl)aniline
CID 62694499
3-(2,3,4,5,6-pentafluorophenyl)-4-propyl-1,2,4-triazole
CID 115395009
4-propyl-3-(3,4,5-trifluorophenyl)-1,2,4-triazole
CID 113301320
3-(2-ethyl-5-methylpyrazol-3-yl)-4-propyl-1,2,4-triazole
CID 115394935
3-(3-ethyl-1-methylpyrazol-5-yl)-4-propyl-1,2,4-triazole
CID 115394957
3-chloro-2-(4-propyl-1,2,4-triazol-3-yl)aniline
CID 63724131
3-(3-chloro-2-fluorophenyl)-4-propyl-1,2,4-triazole
CID 115395003
3-(3-chloro-5-methylphenyl)-4-propyl-1,2,4-triazole
CID 115395140

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(4-propyl-1,2,4-triazol-3-yl)thiophen-2-amine?
The IUPAC name of 5-methyl-3-(4-propyl-1,2,4-triazol-3-yl)thiophen-2-amine (CID 63619258) is 5-methyl-3-(4-propyl-1,2,4-triazol-3-yl)thiophen-2-amine.
What is the SMILES notation for 5-methyl-3-(4-propyl-1,2,4-triazol-3-yl)thiophen-2-amine?
The canonical SMILES for 5-methyl-3-(4-propyl-1,2,4-triazol-3-yl)thiophen-2-amine is CCCn1cnnc1-c1cc(C)sc1N.
What is the InChIKey of 5-methyl-3-(4-propyl-1,2,4-triazol-3-yl)thiophen-2-amine?
The InChIKey is AWZQHOZFMGHZLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4S/c1-3-4-14-6-12-13-10(14)8-5-7(2)15-9(8)11/h5-6H,3-4,11H2,1-2H3.
What are the key properties of 5-methyl-3-(4-propyl-1,2,4-triazol-3-yl)thiophen-2-amine?
5-methyl-3-(4-propyl-1,2,4-triazol-3-yl)thiophen-2-amine has a molecular weight of 222.32 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(4-propyl-1,2,4-triazol-3-yl)thiophen-2-amine is sourced from PubChem (CID 63619258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).