2-methyl-1-methylsulfanyl-3-([1,2,4]triazolo[1,5-a]pyridin-2-ylamino)propan-2-ol

C11H16N4OS — CID 102677502

IUPAC2-methyl-1-methylsulfanyl-3-([1,2,4]triazolo[1,5-a]pyridin-2-ylamino)propan-2-ol
SMILESCSCC(C)(O)CNc1nc2ccccn2n1
InChIInChI=1S/C11H16N4OS/c1-11(16,8-17-2)7-12-10-13-9-5-3-4-6-15(9)14-10/h3-6,16H,7-8H2,1-2H3,(H,12,14)
InChIKeyGHUZNVCFIYSDFA-UHFFFAOYSA-N
MW252.34 g/mol
LogP1.26
Rot. Bonds5

About 2-methyl-1-methylsulfanyl-3-([1,2,4]triazolo[1,5-a]pyridin-2-ylamino)propan-2-ol

2-methyl-1-methylsulfanyl-3-([1,2,4]triazolo[1,5-a]pyridin-2-ylamino)propan-2-ol (PubChem CID 102677502) has the molecular formula C11H16N4OS and a molecular weight of 252.34 g/mol. Its IUPAC name is 2-methyl-1-methylsulfanyl-3-([1,2,4]triazolo[1,5-a]pyridin-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-methylsulfanyl-3-([1,2,4]triazolo[1,5-a]pyridin-2-ylamino)propan-2-ol
PubChem CID102677502
Molecular FormulaC11H16N4OS
Molecular Weight252.34 g/mol
Exact Mass252.10
IUPAC Name2-methyl-1-methylsulfanyl-3-([1,2,4]triazolo[1,5-a]pyridin-2-ylamino)propan-2-ol
SMILESCSCC(C)(O)CNc1nc2ccccn2n1
InChIInChI=1S/C11H16N4OS/c1-11(16,8-17-2)7-12-10-13-9-5-3-4-6-15(9)14-10/h3-6,16H,7-8H2,1-2H3,(H,12,14)
InChIKeyGHUZNVCFIYSDFA-UHFFFAOYSA-N
XLogP1.26
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-methyl-1-methylsulfanyl-3-([1,2,4]triazolo[1,5-a]pyridin-2-ylamino)propan-2-ol with MolForge

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Related Compounds

2,3-dimethyl-3-([1,2,4]triazolo[1,5-a]pyridin-2-ylamino)butan-2-ol
CID 114156351
4-[([1,2,4]triazolo[1,5-a]pyridin-2-ylamino)methyl]phenol
CID 114332619
N-[2-(2-methylprop-2-enoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 114468905
1-(2-aminoanilino)-2-methyl-3-methylsulfanylpropan-2-ol
CID 106243794
N-[(5-methyl-1,3-thiazol-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 114128046
1-[2-([1,2,4]triazolo[1,5-a]pyridin-2-ylamino)ethylamino]propan-2-ol
CID 113430486
1-[(5-iodopyrimidin-2-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 104843880
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 107095635
3-methoxy-2-([1,2,4]triazolo[1,5-a]pyridin-2-ylamino)propan-1-ol
CID 106192593
5-([1,2,4]triazolo[1,5-a]pyridin-2-ylamino)pentanamide
CID 106239011
1-[(6-chloro-2-pyridinyl)amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 107257871
2-methyl-1-methylsulfanyl-3-(pyridin-4-ylamino)propan-2-ol
CID 103820180

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-methylsulfanyl-3-([1,2,4]triazolo[1,5-a]pyridin-2-ylamino)propan-2-ol?
The IUPAC name of 2-methyl-1-methylsulfanyl-3-([1,2,4]triazolo[1,5-a]pyridin-2-ylamino)propan-2-ol (CID 102677502) is 2-methyl-1-methylsulfanyl-3-([1,2,4]triazolo[1,5-a]pyridin-2-ylamino)propan-2-ol.
What is the SMILES notation for 2-methyl-1-methylsulfanyl-3-([1,2,4]triazolo[1,5-a]pyridin-2-ylamino)propan-2-ol?
The canonical SMILES for 2-methyl-1-methylsulfanyl-3-([1,2,4]triazolo[1,5-a]pyridin-2-ylamino)propan-2-ol is CSCC(C)(O)CNc1nc2ccccn2n1.
What is the InChIKey of 2-methyl-1-methylsulfanyl-3-([1,2,4]triazolo[1,5-a]pyridin-2-ylamino)propan-2-ol?
The InChIKey is GHUZNVCFIYSDFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4OS/c1-11(16,8-17-2)7-12-10-13-9-5-3-4-6-15(9)14-10/h3-6,16H,7-8H2,1-2H3,(H,12,14).
What are the key properties of 2-methyl-1-methylsulfanyl-3-([1,2,4]triazolo[1,5-a]pyridin-2-ylamino)propan-2-ol?
2-methyl-1-methylsulfanyl-3-([1,2,4]triazolo[1,5-a]pyridin-2-ylamino)propan-2-ol has a molecular weight of 252.34 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-methylsulfanyl-3-([1,2,4]triazolo[1,5-a]pyridin-2-ylamino)propan-2-ol is sourced from PubChem (CID 102677502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).