N-[(2-methylsulfanylpyrimidin-5-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-amine

C12H12N6S — CID 29188647

IUPACN-[(2-methylsulfanylpyrimidin-5-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-amine
SMILESCSc1ncc(CNc2nnc3ccccn23)cn1
InChIInChI=1S/C12H12N6S/c1-19-12-14-7-9(8-15-12)6-13-11-17-16-10-4-2-3-5-18(10)11/h2-5,7-8H,6H2,1H3,(H,13,17)
InChIKeyORVCNOMJSCCQLI-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.85
Rot. Bonds4

About N-[(2-methylsulfanylpyrimidin-5-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-amine

N-[(2-methylsulfanylpyrimidin-5-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-amine (PubChem CID 29188647) has the molecular formula C12H12N6S and a molecular weight of 272.34 g/mol. Its IUPAC name is N-[(2-methylsulfanylpyrimidin-5-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-amine.

Molecular Properties

Compound NameN-[(2-methylsulfanylpyrimidin-5-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-amine
PubChem CID29188647
Molecular FormulaC12H12N6S
Molecular Weight272.34 g/mol
Exact Mass272.08
IUPAC NameN-[(2-methylsulfanylpyrimidin-5-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-amine
SMILESCSc1ncc(CNc2nnc3ccccn23)cn1
InChIInChI=1S/C12H12N6S/c1-19-12-14-7-9(8-15-12)6-13-11-17-16-10-4-2-3-5-18(10)11/h2-5,7-8H,6H2,1H3,(H,13,17)
InChIKeyORVCNOMJSCCQLI-UHFFFAOYSA-N
XLogP1.85
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

6-methyl-2-[([1,2,4]triazolo[4,3-a]pyridin-3-ylamino)methyl]pyridin-3-ol
CID 86797186
[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyrimidin-5-yl]methanol
CID 113388746
N-methyl-1-[6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)-3-pyridinyl]methanamine
CID 80650906
3-N-benzyl-[1,2,4]triazolo[4,3-a]pyridine-3,6-diamine
CID 121260958
2-ethoxy-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)acetamide
CID 53204392
1-(6-methoxy-3-pyridinyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine
CID 114936363
N-benzyl-6-(diethylaminosulfanyl)-[1,2,4]triazolo[4,3-a]pyridin-3-amine
CID 145061746
3-methylsulfanyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propan-1-amine
CID 28711709
(2S)-2-benzylsulfanyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propanamide
CID 51958568
N-[(1-ethylpyrazol-4-yl)methyl]-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)aniline
CID 71968034
1-[(1S)-2-methylsulfanyl-1-phenylethyl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea
CID 95773517
N-(imidazo[1,2-a]pyridin-3-ylmethyl)-1-methylsulfanylpropan-2-amine
CID 115639682

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylsulfanylpyrimidin-5-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-amine?
The IUPAC name of N-[(2-methylsulfanylpyrimidin-5-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-amine (CID 29188647) is N-[(2-methylsulfanylpyrimidin-5-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-amine.
What is the SMILES notation for N-[(2-methylsulfanylpyrimidin-5-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-amine?
The canonical SMILES for N-[(2-methylsulfanylpyrimidin-5-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-amine is CSc1ncc(CNc2nnc3ccccn23)cn1.
What is the InChIKey of N-[(2-methylsulfanylpyrimidin-5-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-amine?
The InChIKey is ORVCNOMJSCCQLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6S/c1-19-12-14-7-9(8-15-12)6-13-11-17-16-10-4-2-3-5-18(10)11/h2-5,7-8H,6H2,1H3,(H,13,17).
What are the key properties of N-[(2-methylsulfanylpyrimidin-5-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-amine?
N-[(2-methylsulfanylpyrimidin-5-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-amine has a molecular weight of 272.34 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylsulfanylpyrimidin-5-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-amine is sourced from PubChem (CID 29188647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).