5-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-ethyl-3-methylpyrazol-4-amine

C14H20N6S — CID 66011136

IUPAC5-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-ethyl-3-methylpyrazol-4-amine
SMILESCCn1nc(C)c(N)c1Sc1nnc(C2CC2)n1C1CC1
InChIInChI=1S/C14H20N6S/c1-3-19-13(11(15)8(2)18-19)21-14-17-16-12(9-4-5-9)20(14)10-6-7-10/h9-10H,3-7,15H2,1-2H3
InChIKeyOOJNNXFSQBLKBJ-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.75
Rot. Bonds5

About 5-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-ethyl-3-methylpyrazol-4-amine

5-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-ethyl-3-methylpyrazol-4-amine (PubChem CID 66011136) has the molecular formula C14H20N6S and a molecular weight of 304.42 g/mol. Its IUPAC name is 5-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-ethyl-3-methylpyrazol-4-amine.

Molecular Properties

Compound Name5-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-ethyl-3-methylpyrazol-4-amine
PubChem CID66011136
Molecular FormulaC14H20N6S
Molecular Weight304.42 g/mol
Exact Mass304.15
IUPAC Name5-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-ethyl-3-methylpyrazol-4-amine
SMILESCCn1nc(C)c(N)c1Sc1nnc(C2CC2)n1C1CC1
InChIInChI=1S/C14H20N6S/c1-3-19-13(11(15)8(2)18-19)21-14-17-16-12(9-4-5-9)20(14)10-6-7-10/h9-10H,3-7,15H2,1-2H3
InChIKeyOOJNNXFSQBLKBJ-UHFFFAOYSA-N
XLogP2.75
TPSA74.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-ethyl-3-methylpyrazol-4-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-ethyl-3-methylpyrazol-4-amine?
The IUPAC name of 5-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-ethyl-3-methylpyrazol-4-amine (CID 66011136) is 5-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-ethyl-3-methylpyrazol-4-amine.
What is the SMILES notation for 5-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-ethyl-3-methylpyrazol-4-amine?
The canonical SMILES for 5-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-ethyl-3-methylpyrazol-4-amine is CCn1nc(C)c(N)c1Sc1nnc(C2CC2)n1C1CC1.
What is the InChIKey of 5-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-ethyl-3-methylpyrazol-4-amine?
The InChIKey is OOJNNXFSQBLKBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6S/c1-3-19-13(11(15)8(2)18-19)21-14-17-16-12(9-4-5-9)20(14)10-6-7-10/h9-10H,3-7,15H2,1-2H3.
What are the key properties of 5-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-ethyl-3-methylpyrazol-4-amine?
5-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-ethyl-3-methylpyrazol-4-amine has a molecular weight of 304.42 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-ethyl-3-methylpyrazol-4-amine is sourced from PubChem (CID 66011136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).