[5-propyl-6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyrimidin-4-yl]hydrazine

C13H15N7S — CID 80929836

IUPAC[5-propyl-6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyrimidin-4-yl]hydrazine
SMILESCCCc1c(NN)ncnc1Sc1nnc2ccccn12
InChIInChI=1S/C13H15N7S/c1-2-5-9-11(17-14)15-8-16-12(9)21-13-19-18-10-6-3-4-7-20(10)13/h3-4,6-8H,2,5,14H2,1H3,(H,15,16,17)
InChIKeyKFMSSSLISNJHBY-UHFFFAOYSA-N
MW301.38 g/mol
LogP1.91
Rot. Bonds5

About [5-propyl-6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyrimidin-4-yl]hydrazine

[5-propyl-6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyrimidin-4-yl]hydrazine (PubChem CID 80929836) has the molecular formula C13H15N7S and a molecular weight of 301.38 g/mol. Its IUPAC name is [5-propyl-6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[5-propyl-6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyrimidin-4-yl]hydrazine
PubChem CID80929836
Molecular FormulaC13H15N7S
Molecular Weight301.38 g/mol
Exact Mass301.11
IUPAC Name[5-propyl-6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyrimidin-4-yl]hydrazine
SMILESCCCc1c(NN)ncnc1Sc1nnc2ccccn12
InChIInChI=1S/C13H15N7S/c1-2-5-9-11(17-14)15-8-16-12(9)21-13-19-18-10-6-3-4-7-20(10)13/h3-4,6-8H,2,5,14H2,1H3,(H,15,16,17)
InChIKeyKFMSSSLISNJHBY-UHFFFAOYSA-N
XLogP1.91
TPSA94.02 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [5-propyl-6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyrimidin-4-yl]hydrazine 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

N-methyl-5-propyl-6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyrimidin-4-amine
CID 80883794
[2-ethyl-5-methyl-6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyrimidin-4-yl]hydrazine
CID 81001449
5-methyl-2-propyl-6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyrimidin-4-amine
CID 80990134
3-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)sulfanyl-[1,2,4]triazolo[4,3-a]pyridine
CID 80970201
2-(6-hydrazinyl-5-propylpyrimidin-4-yl)sulfanylpyrimidine-4,6-diamine
CID 80923227
3-(3-chloropyrazin-2-yl)sulfanyl-[1,2,4]triazolo[4,3-a]pyridine
CID 55126639
5-nitro-6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyrimidin-4-amine
CID 112724176
[2-ethyl-6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyrimidin-4-yl]hydrazine
CID 80940852
(2S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propan-2-amine
CID 104889221
3-[(3,5-dibromo-2-pyridinyl)sulfanyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 113413907
1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)phenyl]butan-2-amine
CID 63819025
2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)phenyl]ethanamine
CID 63820038

Frequently Asked Questions

What is the IUPAC name of [5-propyl-6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyrimidin-4-yl]hydrazine?
The IUPAC name of [5-propyl-6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyrimidin-4-yl]hydrazine (CID 80929836) is [5-propyl-6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [5-propyl-6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyrimidin-4-yl]hydrazine?
The canonical SMILES for [5-propyl-6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyrimidin-4-yl]hydrazine is CCCc1c(NN)ncnc1Sc1nnc2ccccn12.
What is the InChIKey of [5-propyl-6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyrimidin-4-yl]hydrazine?
The InChIKey is KFMSSSLISNJHBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N7S/c1-2-5-9-11(17-14)15-8-16-12(9)21-13-19-18-10-6-3-4-7-20(10)13/h3-4,6-8H,2,5,14H2,1H3,(H,15,16,17).
What are the key properties of [5-propyl-6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyrimidin-4-yl]hydrazine?
[5-propyl-6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyrimidin-4-yl]hydrazine has a molecular weight of 301.38 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-propyl-6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 80929836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).