N-methylsulfanyltriazolo[1,5-a]pyridin-5-amine

C7H8N4S — CID 166679627

IUPACN-methylsulfanyltriazolo[1,5-a]pyridin-5-amine
SMILESCSNc1ccn2nncc2c1
InChIInChI=1S/C7H8N4S/c1-12-9-6-2-3-11-7(4-6)5-8-10-11/h2-5,9H,1H3
InChIKeyIZVXYFFIFZWBGU-UHFFFAOYSA-N
MW180.24 g/mol
LogP1.42
Rot. Bonds2

About N-methylsulfanyltriazolo[1,5-a]pyridin-5-amine

N-methylsulfanyltriazolo[1,5-a]pyridin-5-amine (PubChem CID 166679627) has the molecular formula C7H8N4S and a molecular weight of 180.24 g/mol. Its IUPAC name is N-methylsulfanyltriazolo[1,5-a]pyridin-5-amine.

Molecular Properties

Compound NameN-methylsulfanyltriazolo[1,5-a]pyridin-5-amine
PubChem CID166679627
Molecular FormulaC7H8N4S
Molecular Weight180.24 g/mol
Exact Mass180.05
IUPAC NameN-methylsulfanyltriazolo[1,5-a]pyridin-5-amine
SMILESCSNc1ccn2nncc2c1
InChIInChI=1S/C7H8N4S/c1-12-9-6-2-3-11-7(4-6)5-8-10-11/h2-5,9H,1H3
InChIKeyIZVXYFFIFZWBGU-UHFFFAOYSA-N
XLogP1.42
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.24
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methylsulfanyltriazolo[1,5-a]pyridin-5-amine?
The IUPAC name of N-methylsulfanyltriazolo[1,5-a]pyridin-5-amine (CID 166679627) is N-methylsulfanyltriazolo[1,5-a]pyridin-5-amine.
What is the SMILES notation for N-methylsulfanyltriazolo[1,5-a]pyridin-5-amine?
The canonical SMILES for N-methylsulfanyltriazolo[1,5-a]pyridin-5-amine is CSNc1ccn2nncc2c1.
What is the InChIKey of N-methylsulfanyltriazolo[1,5-a]pyridin-5-amine?
The InChIKey is IZVXYFFIFZWBGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4S/c1-12-9-6-2-3-11-7(4-6)5-8-10-11/h2-5,9H,1H3.
What are the key properties of N-methylsulfanyltriazolo[1,5-a]pyridin-5-amine?
N-methylsulfanyltriazolo[1,5-a]pyridin-5-amine has a molecular weight of 180.24 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylsulfanyltriazolo[1,5-a]pyridin-5-amine is sourced from PubChem (CID 166679627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).