2-[(5-methylthiophen-3-yl)methyl]triazol-4-amine

C8H10N4S — CID 165481339

IUPAC2-[(5-methylthiophen-3-yl)methyl]triazol-4-amine
SMILESCc1cc(Cn2ncc(N)n2)cs1
InChIInChI=1S/C8H10N4S/c1-6-2-7(5-13-6)4-12-10-3-8(9)11-12/h2-3,5H,4H2,1H3,(H2,9,11)
InChIKeyDXHCTTXLEZLSDU-UHFFFAOYSA-N
MW194.26 g/mol
LogP1.28
Rot. Bonds2

About 2-[(5-methylthiophen-3-yl)methyl]triazol-4-amine

2-[(5-methylthiophen-3-yl)methyl]triazol-4-amine (PubChem CID 165481339) has the molecular formula C8H10N4S and a molecular weight of 194.26 g/mol. Its IUPAC name is 2-[(5-methylthiophen-3-yl)methyl]triazol-4-amine.

Molecular Properties

Compound Name2-[(5-methylthiophen-3-yl)methyl]triazol-4-amine
PubChem CID165481339
Molecular FormulaC8H10N4S
Molecular Weight194.26 g/mol
Exact Mass194.06
IUPAC Name2-[(5-methylthiophen-3-yl)methyl]triazol-4-amine
SMILESCc1cc(Cn2ncc(N)n2)cs1
InChIInChI=1S/C8H10N4S/c1-6-2-7(5-13-6)4-12-10-3-8(9)11-12/h2-3,5H,4H2,1H3,(H2,9,11)
InChIKeyDXHCTTXLEZLSDU-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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Related Compounds

2-[(2-methyl-4-pyridinyl)methyl]triazol-4-amine
CID 165479881
2-[(5-bromofuran-3-yl)methyl]triazol-4-amine
CID 165479365
2-(thiadiazol-4-ylmethyl)triazol-4-amine
CID 165472887
2-[(3-chloro-4-methoxyphenyl)methyl]triazol-4-amine
CID 96592578
2-[(5-fluoro-2-methylphenyl)methyl]triazol-4-amine
CID 165479941
2-[[4-(2-methyl-1,3-dioxolan-2-yl)-1,3-thiazol-2-yl]methyl]triazol-4-amine
CID 67365122
2-[(5-chloro-1-methylpyrazol-3-yl)methyl]triazol-4-amine
CID 165480312
2-[(2-bromothiophen-3-yl)methyl]triazol-4-amine
CID 165471829
2-[[4-(2-methoxyethoxy)phenyl]methyl]triazol-4-amine
CID 135260000
2-[(4-bromo-1,2-thiazol-5-yl)methyl]triazol-4-amine
CID 165471897
ethane;4-ethyl-2-methylthiophene
CID 143587755
2-(2-ethylbutyl)triazol-4-amine
CID 165481404

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methylthiophen-3-yl)methyl]triazol-4-amine?
The IUPAC name of 2-[(5-methylthiophen-3-yl)methyl]triazol-4-amine (CID 165481339) is 2-[(5-methylthiophen-3-yl)methyl]triazol-4-amine.
What is the SMILES notation for 2-[(5-methylthiophen-3-yl)methyl]triazol-4-amine?
The canonical SMILES for 2-[(5-methylthiophen-3-yl)methyl]triazol-4-amine is Cc1cc(Cn2ncc(N)n2)cs1.
What is the InChIKey of 2-[(5-methylthiophen-3-yl)methyl]triazol-4-amine?
The InChIKey is DXHCTTXLEZLSDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4S/c1-6-2-7(5-13-6)4-12-10-3-8(9)11-12/h2-3,5H,4H2,1H3,(H2,9,11).
What are the key properties of 2-[(5-methylthiophen-3-yl)methyl]triazol-4-amine?
2-[(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 2-[(5-methylthiophen-3-yl)methyl]triazol-4-amine is sourced from PubChem (CID 165481339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).