7-methyl-N-(thiolan-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine

C12H16N4S — CID 107296881

IUPAC7-methyl-N-(thiolan-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine
SMILESCc1cc(NCC2CCSC2)n2ncnc2c1
InChIInChI=1S/C12H16N4S/c1-9-4-11(13-6-10-2-3-17-7-10)16-12(5-9)14-8-15-16/h4-5,8,10,13H,2-3,6-7H2,1H3
InChIKeyCGDIAKVPECWHKB-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.20
Rot. Bonds3

About 7-methyl-N-(thiolan-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine

7-methyl-N-(thiolan-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine (PubChem CID 107296881) has the molecular formula C12H16N4S and a molecular weight of 248.35 g/mol. Its IUPAC name is 7-methyl-N-(thiolan-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine.

Molecular Properties

Compound Name7-methyl-N-(thiolan-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine
PubChem CID107296881
Molecular FormulaC12H16N4S
Molecular Weight248.35 g/mol
Exact Mass248.11
IUPAC Name7-methyl-N-(thiolan-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine
SMILESCc1cc(NCC2CCSC2)n2ncnc2c1
InChIInChI=1S/C12H16N4S/c1-9-4-11(13-6-10-2-3-17-7-10)16-12(5-9)14-8-15-16/h4-5,8,10,13H,2-3,6-7H2,1H3
InChIKeyCGDIAKVPECWHKB-UHFFFAOYSA-N
XLogP2.20
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-methyl-N-(thiolan-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]methyl]cyclohexan-1-ol
CID 103703392
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine
CID 60858149
N-[(1-cyclopropylcyclopropyl)methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine
CID 103837600
7-methyl-N-[(1-methylcyclopropyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-amine
CID 103725041
N-(3,3-dimethylbutyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine
CID 113222610
1-N-methyl-4-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)cyclohexane-1,4-diamine
CID 79110724
4,4-dimethyl-1-[[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]methyl]cyclohexan-1-ol
CID 65118331
7-methyl-N-(2-piperidin-4-yloxyethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine
CID 63871172
7-methyl-N-(4-methylcyclohexyl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine
CID 43232824
N-(2-chloro-3-ethylpentyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine
CID 106286878
N-(3-chlorobutyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine
CID 65028368
N-(4-chlorocyclohexyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine
CID 65027810

Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-(thiolan-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine?
The IUPAC name of 7-methyl-N-(thiolan-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine (CID 107296881) is 7-methyl-N-(thiolan-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine.
What is the SMILES notation for 7-methyl-N-(thiolan-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine?
The canonical SMILES for 7-methyl-N-(thiolan-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine is Cc1cc(NCC2CCSC2)n2ncnc2c1.
What is the InChIKey of 7-methyl-N-(thiolan-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine?
The InChIKey is CGDIAKVPECWHKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4S/c1-9-4-11(13-6-10-2-3-17-7-10)16-12(5-9)14-8-15-16/h4-5,8,10,13H,2-3,6-7H2,1H3.
What are the key properties of 7-methyl-N-(thiolan-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine?
7-methyl-N-(thiolan-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine has a molecular weight of 248.35 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-(thiolan-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine is sourced from PubChem (CID 107296881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).