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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Related Compounds

N-methylsulfanylimidazo[1,5-a]pyridin-7-amine
CID 146317882
5-tert-butyltriazolo[1,5-a]pyridine
CID 58270238
N-ethyltriazolo[1,5-a]pyridine-5-carboxamide
CID 154322034
1-(triazolo[1,5-a]pyridin-5-yl)propan-2-one
CID 83874355
3,4-difluoro-N-methylsulfanylaniline
CID 123971541
5-(piperazin-1-ylmethyl)triazolo[1,5-a]pyridine
CID 83887715
N-methylsulfanylpyridin-3-amine
CID 126541026
N-methylimidazo[1,5-a]pyridin-7-amine
CID 83872424
[3-(methylsulfanylamino)phenyl]boronic acid
CID 143312158
8-[(3-chlorophenyl)methyl]-8,11,12,13-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,12,14-heptaene
CID 156769289
triazolo[1,5-a]pyridin-4-ol
CID 154022157
3-N-[3-(methylsulfanylamino)phenyl]-1H-1,2,4-triazole-3,5-diamine
CID 129131941

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).