(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methanamine

C5H7N5S — CID 28812162

IUPAC(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methanamine
SMILESCc1nnc2sc(CN)nn12
InChIInChI=1S/C5H7N5S/c1-3-7-8-5-10(3)9-4(2-6)11-5/h2,6H2,1H3
InChIKeyDSYVZPGZVLVBFJ-UHFFFAOYSA-N
MW169.21 g/mol
LogP-0.05
Rot. Bonds1

About (3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methanamine

(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methanamine (PubChem CID 28812162) has the molecular formula C5H7N5S and a molecular weight of 169.21 g/mol. Its IUPAC name is (3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methanamine.

Molecular Properties

Compound Name(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methanamine
PubChem CID28812162
Molecular FormulaC5H7N5S
Molecular Weight169.21 g/mol
Exact Mass169.04
IUPAC Name(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methanamine
SMILESCc1nnc2sc(CN)nn12
InChIInChI=1S/C5H7N5S/c1-3-7-8-5-10(3)9-4(2-6)11-5/h2,6H2,1H3
InChIKeyDSYVZPGZVLVBFJ-UHFFFAOYSA-N
XLogP-0.05
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.21
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethanamine
CID 28812164
5-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)pentan-2-amine
CID 114352120
N-[(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]methanesulfonamide
CID 110401126
2-[(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methylsulfanyl]acetic acid
CID 114351854
N-[2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]propan-2-amine
CID 114352100
4-[(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methoxy]aniline
CID 82485117
2,2,2-trifluoro-N-[(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]ethanamine
CID 114351983
methyl N-[(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]carbamate
CID 110401102
3-methyl-6-(piperazin-1-ylmethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 82476945
N-[(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]butanamide
CID 110401028
3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)butan-1-amine
CID 130168016
2-amino-2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propan-1-ol
CID 130624041

Frequently Asked Questions

What is the IUPAC name of (3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methanamine?
The IUPAC name of (3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methanamine (CID 28812162) is (3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methanamine.
What is the SMILES notation for (3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methanamine?
The canonical SMILES for (3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methanamine is Cc1nnc2sc(CN)nn12.
What is the InChIKey of (3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methanamine?
The InChIKey is DSYVZPGZVLVBFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N5S/c1-3-7-8-5-10(3)9-4(2-6)11-5/h2,6H2,1H3.
What are the key properties of (3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methanamine?
(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methanamine has a molecular weight of 169.21 g/mol, XLogP of -0.05, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methanamine is sourced from PubChem (CID 28812162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).