5-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)pentan-2-amine

C9H15N5S — CID 114352120

IUPAC5-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)pentan-2-amine
SMILESCc1nnc2sc(CCCC(C)N)nn12
InChIInChI=1S/C9H15N5S/c1-6(10)4-3-5-8-13-14-7(2)11-12-9(14)15-8/h6H,3-5,10H2,1-2H3
InChIKeyGSLQZZUZFLAUMA-UHFFFAOYSA-N
MW225.32 g/mol
LogP1.16
Rot. Bonds4

About 5-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)pentan-2-amine

5-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)pentan-2-amine (PubChem CID 114352120) has the molecular formula C9H15N5S and a molecular weight of 225.32 g/mol. Its IUPAC name is 5-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)pentan-2-amine.

Molecular Properties

Compound Name5-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)pentan-2-amine
PubChem CID114352120
Molecular FormulaC9H15N5S
Molecular Weight225.32 g/mol
Exact Mass225.10
IUPAC Name5-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)pentan-2-amine
SMILESCc1nnc2sc(CCCC(C)N)nn12
InChIInChI=1S/C9H15N5S/c1-6(10)4-3-5-8-13-14-7(2)11-12-9(14)15-8/h6H,3-5,10H2,1-2H3
InChIKeyGSLQZZUZFLAUMA-UHFFFAOYSA-N
XLogP1.16
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 51.16
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
(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methanamine
CID 28812162
5-(3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)pentan-2-amine
CID 114353152
N-[2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]propan-2-amine
CID 114352100
3-methyl-N-[2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]butanamide
CID 110400868
4-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)pentan-1-amine
CID 114352158
3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N,N-dipropylpropanamide
CID 110385562
3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)butan-1-amine
CID 130168016
ethyl 4-[3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanoyl]piperazine-1-carboxylate
CID 110385547
2-methyl-1-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)butan-1-amine
CID 114352031
ethyl 1-[3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanoyl]piperidine-3-carboxylate
CID 110675476
4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)butan-2-amine
CID 114352264

Frequently Asked Questions

What is the IUPAC name of 5-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)pentan-2-amine?
The IUPAC name of 5-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)pentan-2-amine (CID 114352120) is 5-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)pentan-2-amine.
What is the SMILES notation for 5-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)pentan-2-amine?
The canonical SMILES for 5-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)pentan-2-amine is Cc1nnc2sc(CCCC(C)N)nn12.
What is the InChIKey of 5-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)pentan-2-amine?
The InChIKey is GSLQZZUZFLAUMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5S/c1-6(10)4-3-5-8-13-14-7(2)11-12-9(14)15-8/h6H,3-5,10H2,1-2H3.
What are the key properties of 5-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)pentan-2-amine?
5-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)pentan-2-amine has a molecular weight of 225.32 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)pentan-2-amine is sourced from PubChem (CID 114352120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).