3-methylsulfanyl-N-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-5-amine

C8H10N4S2 — CID 973008

IUPAC3-methylsulfanyl-N-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-5-amine
SMILESCSc1n[nH]c(NCc2cccs2)n1
InChIInChI=1S/C8H10N4S2/c1-13-8-10-7(11-12-8)9-5-6-3-2-4-14-6/h2-4H,5H2,1H3,(H2,9,10,11,12)
InChIKeyDSCFVUXWECSQFR-UHFFFAOYSA-N
MW226.33 g/mol
LogP2.20
Rot. Bonds4

About 3-methylsulfanyl-N-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-5-amine

3-methylsulfanyl-N-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-5-amine (PubChem CID 973008) has the molecular formula C8H10N4S2 and a molecular weight of 226.33 g/mol. Its IUPAC name is 3-methylsulfanyl-N-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-5-amine.

Molecular Properties

Compound Name3-methylsulfanyl-N-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-5-amine
PubChem CID973008
Molecular FormulaC8H10N4S2
Molecular Weight226.33 g/mol
Exact Mass226.03
IUPAC Name3-methylsulfanyl-N-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-5-amine
SMILESCSc1n[nH]c(NCc2cccs2)n1
InChIInChI=1S/C8H10N4S2/c1-13-8-10-7(11-12-8)9-5-6-3-2-4-14-6/h2-4H,5H2,1H3,(H2,9,10,11,12)
InChIKeyDSCFVUXWECSQFR-UHFFFAOYSA-N
XLogP2.20
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.33
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(methylsulfonyl)-N,N'-bis(2-thienylmethyl)-1H-1,2,4-triazole-3,5-diamine
CID 2980460
1-butyl-N-(thiophen-2-ylmethyl)tetrazol-5-amine
CID 1817890
1-methyl-N-[(5-methylthiophen-2-yl)methyl]tetrazol-5-amine
CID 4712769
1-ethyl-N-(thiophen-2-ylmethyl)-1H-tetrazol-5-amine
CID 4727449
5-Amino-3-(2-thienylmethyl)amino-1,2,4-triazole
CID 2726523
2-(1-methyltetrazol-5-yl)sulfanyl-N-(thiophen-2-ylmethyl)ethanamine
CID 1817811
3-N-[(5-thiophen-2-ylthiophen-2-yl)methyl]-1H-1,2,4-triazole-3,5-diamine
CID 2740028
3-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]-N-(thiophen-2-ylmethyl)propan-1-amine
CID 6485933
1-prop-2-enyl-N-(thiophen-2-ylmethyl)tetrazol-5-amine
CID 4726348
1-propyl-N-(thiophen-2-ylmethyl)tetrazol-5-amine
CID 4727226
3-pyrrolidin-1-yl-N-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-5-amine
CID 18342151
N-[2-[[5-[(dimethylamino)methyl]thiophen-2-yl]methylsulfanyl]ethyl]-2-methyl-1,2,4-triazol-3-amine
CID 20270328

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfanyl-N-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-5-amine?
The IUPAC name of 3-methylsulfanyl-N-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-5-amine (CID 973008) is 3-methylsulfanyl-N-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-5-amine.
What is the SMILES notation for 3-methylsulfanyl-N-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-5-amine?
The canonical SMILES for 3-methylsulfanyl-N-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-5-amine is CSc1n[nH]c(NCc2cccs2)n1.
What is the InChIKey of 3-methylsulfanyl-N-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-5-amine?
The InChIKey is DSCFVUXWECSQFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4S2/c1-13-8-10-7(11-12-8)9-5-6-3-2-4-14-6/h2-4H,5H2,1H3,(H2,9,10,11,12).
What are the key properties of 3-methylsulfanyl-N-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-5-amine?
3-methylsulfanyl-N-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-5-amine has a molecular weight of 226.33 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanyl-N-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-5-amine is sourced from PubChem (CID 973008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).