1-(1-methylpyrazol-4-yl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butan-2-amine

C14H18N6S — CID 62848930

IUPAC1-(1-methylpyrazol-4-yl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butan-2-amine
SMILESCCC(N)C(Sc1nnc2ccccn12)c1cnn(C)c1
InChIInChI=1S/C14H18N6S/c1-3-11(15)13(10-8-16-19(2)9-10)21-14-18-17-12-6-4-5-7-20(12)14/h4-9,11,13H,3,15H2,1-2H3
InChIKeyGYJPLBHEGYLNDQ-UHFFFAOYSA-N
MW302.41 g/mol
LogP2.03
Rot. Bonds5

About 1-(1-methylpyrazol-4-yl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butan-2-amine

1-(1-methylpyrazol-4-yl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butan-2-amine (PubChem CID 62848930) has the molecular formula C14H18N6S and a molecular weight of 302.41 g/mol. Its IUPAC name is 1-(1-methylpyrazol-4-yl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butan-2-amine.

Molecular Properties

Compound Name1-(1-methylpyrazol-4-yl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butan-2-amine
PubChem CID62848930
Molecular FormulaC14H18N6S
Molecular Weight302.41 g/mol
Exact Mass302.13
IUPAC Name1-(1-methylpyrazol-4-yl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butan-2-amine
SMILESCCC(N)C(Sc1nnc2ccccn12)c1cnn(C)c1
InChIInChI=1S/C14H18N6S/c1-3-11(15)13(10-8-16-19(2)9-10)21-14-18-17-12-6-4-5-7-20(12)14/h4-9,11,13H,3,15H2,1-2H3
InChIKeyGYJPLBHEGYLNDQ-UHFFFAOYSA-N
XLogP2.03
TPSA74.03 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.41
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-(1-methylpyrazol-4-yl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butan-2-amine with MolForge

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Related Compounds

(2S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propan-2-amine
CID 104889221
1-(3-methylphenyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propan-2-amine
CID 62849104
3-amino-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butan-1-ol
CID 64899231
1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)phenyl]butan-2-amine
CID 63819025
N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propyl]pentan-3-amine
CID 62850021
N-ethyl-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butan-2-amine
CID 64632580
ethyl 2-fluoro-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetate
CID 79357243
2-(5-methylfuran-2-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanamine
CID 62849284
2-(2-methylphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanamine
CID 62848582
3-[1-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethyl]aniline
CID 62851222
N'-hydroxy-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butanimidamide
CID 76950750
2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pentanoic acid
CID 83038187

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazol-4-yl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butan-2-amine?
The IUPAC name of 1-(1-methylpyrazol-4-yl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butan-2-amine (CID 62848930) is 1-(1-methylpyrazol-4-yl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butan-2-amine.
What is the SMILES notation for 1-(1-methylpyrazol-4-yl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butan-2-amine?
The canonical SMILES for 1-(1-methylpyrazol-4-yl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butan-2-amine is CCC(N)C(Sc1nnc2ccccn12)c1cnn(C)c1.
What is the InChIKey of 1-(1-methylpyrazol-4-yl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butan-2-amine?
The InChIKey is GYJPLBHEGYLNDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6S/c1-3-11(15)13(10-8-16-19(2)9-10)21-14-18-17-12-6-4-5-7-20(12)14/h4-9,11,13H,3,15H2,1-2H3.
What are the key properties of 1-(1-methylpyrazol-4-yl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butan-2-amine?
1-(1-methylpyrazol-4-yl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butan-2-amine has a molecular weight of 302.41 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrazol-4-yl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butan-2-amine is sourced from PubChem (CID 62848930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).