4-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1-methylpyrazol-5-amine

C10H11N7S — CID 114354411

IUPAC4-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1-methylpyrazol-5-amine
SMILESCn1ncc(-c2nn3c(C4CC4)nnc3s2)c1N
InChIInChI=1S/C10H11N7S/c1-16-7(11)6(4-12-16)9-15-17-8(5-2-3-5)13-14-10(17)18-9/h4-5H,2-3,11H2,1H3
InChIKeyWGTBONHTTJNYQH-UHFFFAOYSA-N
MW261.31 g/mol
LogP1.05
Rot. Bonds2

About 4-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1-methylpyrazol-5-amine

4-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1-methylpyrazol-5-amine (PubChem CID 114354411) has the molecular formula C10H11N7S and a molecular weight of 261.31 g/mol. Its IUPAC name is 4-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name4-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1-methylpyrazol-5-amine
PubChem CID114354411
Molecular FormulaC10H11N7S
Molecular Weight261.31 g/mol
Exact Mass261.08
IUPAC Name4-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1-methylpyrazol-5-amine
SMILESCn1ncc(-c2nn3c(C4CC4)nnc3s2)c1N
InChIInChI=1S/C10H11N7S/c1-16-7(11)6(4-12-16)9-15-17-8(5-2-3-5)13-14-10(17)18-9/h4-5H,2-3,11H2,1H3
InChIKeyWGTBONHTTJNYQH-UHFFFAOYSA-N
XLogP1.05
TPSA86.92 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-5-fluoroaniline
CID 114354376
3-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-4,5-dimethylaniline
CID 114354248
2,4-dibromo-6-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)aniline
CID 114354445
2-(3-cyclopentyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-5-fluoroaniline
CID 114355547
2-(3-cyclopentyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-6-methylaniline
CID 114355578
4-(3-cyclopentyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-3-methylaniline
CID 114355453
5-chloro-2-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenol
CID 136991501
5-(3-cyclopentyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)benzene-1,3-diamine
CID 107811571
[4-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methanamine
CID 82048308
3-(3-cyclobutyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-4-fluoroaniline
CID 114355741
2-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-3-fluoroaniline
CID 114354329
6-(2-chloro-5-pyrazol-1-ylphenyl)-3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 56868956

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1-methylpyrazol-5-amine?
The IUPAC name of 4-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1-methylpyrazol-5-amine (CID 114354411) is 4-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1-methylpyrazol-5-amine.
What is the SMILES notation for 4-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1-methylpyrazol-5-amine?
The canonical SMILES for 4-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1-methylpyrazol-5-amine is Cn1ncc(-c2nn3c(C4CC4)nnc3s2)c1N.
What is the InChIKey of 4-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1-methylpyrazol-5-amine?
The InChIKey is WGTBONHTTJNYQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N7S/c1-16-7(11)6(4-12-16)9-15-17-8(5-2-3-5)13-14-10(17)18-9/h4-5H,2-3,11H2,1H3.
What are the key properties of 4-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1-methylpyrazol-5-amine?
4-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1-methylpyrazol-5-amine has a molecular weight of 261.31 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1-methylpyrazol-5-amine is sourced from PubChem (CID 114354411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).