2-(thiadiazol-4-ylmethyl)triazol-4-amine

C5H6N6S — CID 165472887

IUPAC2-(thiadiazol-4-ylmethyl)triazol-4-amine
SMILESNc1cnn(Cc2csnn2)n1
InChIInChI=1S/C5H6N6S/c6-5-1-7-11(9-5)2-4-3-12-10-8-4/h1,3H,2H2,(H2,6,9)
InChIKeyIRRMTAMMKYXNEO-UHFFFAOYSA-N
MW182.21 g/mol
LogP-0.24
Rot. Bonds2

About 2-(thiadiazol-4-ylmethyl)triazol-4-amine

2-(thiadiazol-4-ylmethyl)triazol-4-amine (PubChem CID 165472887) has the molecular formula C5H6N6S and a molecular weight of 182.21 g/mol. Its IUPAC name is 2-(thiadiazol-4-ylmethyl)triazol-4-amine.

Molecular Properties

Compound Name2-(thiadiazol-4-ylmethyl)triazol-4-amine
PubChem CID165472887
Molecular FormulaC5H6N6S
Molecular Weight182.21 g/mol
Exact Mass182.04
IUPAC Name2-(thiadiazol-4-ylmethyl)triazol-4-amine
SMILESNc1cnn(Cc2csnn2)n1
InChIInChI=1S/C5H6N6S/c6-5-1-7-11(9-5)2-4-3-12-10-8-4/h1,3H,2H2,(H2,6,9)
InChIKeyIRRMTAMMKYXNEO-UHFFFAOYSA-N
XLogP-0.24
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.21
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(5-methylthiophen-3-yl)methyl]triazol-4-amine
CID 165481339
2-[(5-chloro-1-methylpyrazol-3-yl)methyl]triazol-4-amine
CID 165480312
3-methyl-1-(thiadiazol-4-ylmethyl)pyrazol-4-amine
CID 165472870
4-(pyrrol-1-ylmethyl)thiadiazole
CID 130549918
2-[(4-bromo-1,2-thiazol-5-yl)methyl]triazol-4-amine
CID 165471897
2-[(2-bromothiophen-3-yl)methyl]triazol-4-amine
CID 165471829
2-[[2-(methoxymethyl)-1,3-thiazol-5-yl]methyl]triazol-4-amine
CID 67958100
3-amino-4-(thiadiazol-4-ylmethyl)-1H-1,2,4-triazole-5-thione
CID 131223478
2-[[4-(2-methyl-1,3-dioxolan-2-yl)-1,3-thiazol-2-yl]methyl]triazol-4-amine
CID 67365122
2-(2,2-difluoroethyl)triazol-4-amine
CID 146075351
4-[[4-(bromomethyl)imidazol-1-yl]methyl]thiadiazole
CID 130855443
2-(3,3,3-trifluoropropyl)triazol-4-amine
CID 165472886

Frequently Asked Questions

What is the IUPAC name of 2-(thiadiazol-4-ylmethyl)triazol-4-amine?
The IUPAC name of 2-(thiadiazol-4-ylmethyl)triazol-4-amine (CID 165472887) is 2-(thiadiazol-4-ylmethyl)triazol-4-amine.
What is the SMILES notation for 2-(thiadiazol-4-ylmethyl)triazol-4-amine?
The canonical SMILES for 2-(thiadiazol-4-ylmethyl)triazol-4-amine is Nc1cnn(Cc2csnn2)n1.
What is the InChIKey of 2-(thiadiazol-4-ylmethyl)triazol-4-amine?
The InChIKey is IRRMTAMMKYXNEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N6S/c6-5-1-7-11(9-5)2-4-3-12-10-8-4/h1,3H,2H2,(H2,6,9).
What are the key properties of 2-(thiadiazol-4-ylmethyl)triazol-4-amine?
2-(thiadiazol-4-ylmethyl)triazol-4-amine has a molecular weight of 182.21 g/mol, XLogP of -0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thiadiazol-4-ylmethyl)triazol-4-amine is sourced from PubChem (CID 165472887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).