1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]triazol-4-amine

C6H8N6S — CID 165481336

IUPAC1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]triazol-4-amine
SMILESCc1nnc(Cn2cc(N)nn2)s1
InChIInChI=1S/C6H8N6S/c1-4-8-10-6(13-4)3-12-2-5(7)9-11-12/h2H,3,7H2,1H3
InChIKeyCAOIMARUQWGVQJ-UHFFFAOYSA-N
MW196.24 g/mol
LogP0.07
Rot. Bonds2

About 1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]triazol-4-amine

1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]triazol-4-amine (PubChem CID 165481336) has the molecular formula C6H8N6S and a molecular weight of 196.24 g/mol. Its IUPAC name is 1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]triazol-4-amine.

Molecular Properties

Compound Name1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]triazol-4-amine
PubChem CID165481336
Molecular FormulaC6H8N6S
Molecular Weight196.24 g/mol
Exact Mass196.05
IUPAC Name1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]triazol-4-amine
SMILESCc1nnc(Cn2cc(N)nn2)s1
InChIInChI=1S/C6H8N6S/c1-4-8-10-6(13-4)3-12-2-5(7)9-11-12/h2H,3,7H2,1H3
InChIKeyCAOIMARUQWGVQJ-UHFFFAOYSA-N
XLogP0.07
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.24
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(5-methylpyrimidin-2-yl)methyl]triazol-4-amine
CID 165473092
1-[(2-chlorothiophen-3-yl)methyl]triazol-4-amine
CID 165481331
1-(aminomethyl)triazol-4-amine
CID 22639545
1-[(2,5-dimethylphenyl)methyl]triazol-4-amine
CID 79529269
1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-amine
CID 79530372
(5-methyl-1,3,4-thiadiazol-2-yl)methanamine;hydrochloride
CID 11615231
1-[(4-bromothiophen-2-yl)methyl]triazol-4-amine
CID 79542195
5-[(4-methylpyrazol-1-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 80608097
1-(3-fluoropropyl)triazol-4-amine
CID 81110158
1-[(5-chloro-1-methylpyrazol-3-yl)methyl]triazol-4-amine
CID 165481119
1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]triazol-4-amine
CID 79543366
1-(2-methylbutyl)triazol-4-amine
CID 79531086

Frequently Asked Questions

What is the IUPAC name of 1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]triazol-4-amine?
The IUPAC name of 1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]triazol-4-amine (CID 165481336) is 1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]triazol-4-amine.
What is the SMILES notation for 1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]triazol-4-amine?
The canonical SMILES for 1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]triazol-4-amine is Cc1nnc(Cn2cc(N)nn2)s1.
What is the InChIKey of 1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]triazol-4-amine?
The InChIKey is CAOIMARUQWGVQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N6S/c1-4-8-10-6(13-4)3-12-2-5(7)9-11-12/h2H,3,7H2,1H3.
What are the key properties of 1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]triazol-4-amine?
1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]triazol-4-amine has a molecular weight of 196.24 g/mol, XLogP of 0.07, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]triazol-4-amine is sourced from PubChem (CID 165481336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).