(5-methylthiophen-2-yl)-(2-methyl-1,2,4-triazol-3-yl)methanamine

C9H12N4S — CID 130530350

IUPAC(5-methylthiophen-2-yl)-(2-methyl-1,2,4-triazol-3-yl)methanamine
SMILESCc1ccc(C(N)c2ncnn2C)s1
InChIInChI=1S/C9H12N4S/c1-6-3-4-7(14-6)8(10)9-11-5-12-13(9)2/h3-5,8H,10H2,1-2H3
InChIKeyZRGFCPUAGJEASJ-UHFFFAOYSA-N
MW208.29 g/mol
LogP1.23
Rot. Bonds2

About (5-methylthiophen-2-yl)-(2-methyl-1,2,4-triazol-3-yl)methanamine

(5-methylthiophen-2-yl)-(2-methyl-1,2,4-triazol-3-yl)methanamine (PubChem CID 130530350) has the molecular formula C9H12N4S and a molecular weight of 208.29 g/mol. Its IUPAC name is (5-methylthiophen-2-yl)-(2-methyl-1,2,4-triazol-3-yl)methanamine.

Molecular Properties

Compound Name(5-methylthiophen-2-yl)-(2-methyl-1,2,4-triazol-3-yl)methanamine
PubChem CID130530350
Molecular FormulaC9H12N4S
Molecular Weight208.29 g/mol
Exact Mass208.08
IUPAC Name(5-methylthiophen-2-yl)-(2-methyl-1,2,4-triazol-3-yl)methanamine
SMILESCc1ccc(C(N)c2ncnn2C)s1
InChIInChI=1S/C9H12N4S/c1-6-3-4-7(14-6)8(10)9-11-5-12-13(9)2/h3-5,8H,10H2,1-2H3
InChIKeyZRGFCPUAGJEASJ-UHFFFAOYSA-N
XLogP1.23
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-methylthiophen-2-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 104997957
1-(2-methyl-1,2,4-triazol-3-yl)ethanamine;hydrochloride
CID 75493804
(2-bromophenyl)-(2-methyl-1,2,4-triazol-3-yl)methanamine
CID 115049664
(5-iodothiophen-3-yl)-(2-methyl-1,2,4-triazol-3-yl)methanamine
CID 130530394
2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine;hydrochloride
CID 47000789
1-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine
CID 45490077
(2R)-2-amino-2-(2-methyl-1,2,4-triazol-3-yl)ethanol
CID 90284000
(2-methyl-4-pyridinyl)-(5-methylthiophen-2-yl)methanamine
CID 106755531
(5-methylthiophen-2-yl)-(2-phenylpyrazol-3-yl)methanamine
CID 107332136
2,3-dimethyl-1-(2-methyl-1,2,4-triazol-3-yl)butan-1-amine
CID 130530383
(4,5-dibromothiophen-2-yl)-(5-methylthiophen-2-yl)methanamine
CID 80532994
(3-methoxyphenyl)-(2-methyl-1,2,4-triazol-3-yl)methanamine
CID 115030681

Frequently Asked Questions

What is the IUPAC name of (5-methylthiophen-2-yl)-(2-methyl-1,2,4-triazol-3-yl)methanamine?
The IUPAC name of (5-methylthiophen-2-yl)-(2-methyl-1,2,4-triazol-3-yl)methanamine (CID 130530350) is (5-methylthiophen-2-yl)-(2-methyl-1,2,4-triazol-3-yl)methanamine.
What is the SMILES notation for (5-methylthiophen-2-yl)-(2-methyl-1,2,4-triazol-3-yl)methanamine?
The canonical SMILES for (5-methylthiophen-2-yl)-(2-methyl-1,2,4-triazol-3-yl)methanamine is Cc1ccc(C(N)c2ncnn2C)s1.
What is the InChIKey of (5-methylthiophen-2-yl)-(2-methyl-1,2,4-triazol-3-yl)methanamine?
The InChIKey is ZRGFCPUAGJEASJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4S/c1-6-3-4-7(14-6)8(10)9-11-5-12-13(9)2/h3-5,8H,10H2,1-2H3.
What are the key properties of (5-methylthiophen-2-yl)-(2-methyl-1,2,4-triazol-3-yl)methanamine?
(5-methylthiophen-2-yl)-(2-methyl-1,2,4-triazol-3-yl)methanamine has a molecular weight of 208.29 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylthiophen-2-yl)-(2-methyl-1,2,4-triazol-3-yl)methanamine is sourced from PubChem (CID 130530350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).