4-chloro-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,5-thiadiazol-3-amine

C7H9ClN6S — CID 80688542

IUPAC4-chloro-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,5-thiadiazol-3-amine
SMILESCn1cnc(CCNc2nsnc2Cl)n1
InChIInChI=1S/C7H9ClN6S/c1-14-4-10-5(11-14)2-3-9-7-6(8)12-15-13-7/h4H,2-3H2,1H3,(H,9,13)
InChIKeyHBJMFKFZGOFRON-UHFFFAOYSA-N
MW244.71 g/mol
LogP0.97
Rot. Bonds4

About 4-chloro-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,5-thiadiazol-3-amine

4-chloro-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,5-thiadiazol-3-amine (PubChem CID 80688542) has the molecular formula C7H9ClN6S and a molecular weight of 244.71 g/mol. Its IUPAC name is 4-chloro-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,5-thiadiazol-3-amine.

Molecular Properties

Compound Name4-chloro-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,5-thiadiazol-3-amine
PubChem CID80688542
Molecular FormulaC7H9ClN6S
Molecular Weight244.71 g/mol
Exact Mass244.03
IUPAC Name4-chloro-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,5-thiadiazol-3-amine
SMILESCn1cnc(CCNc2nsnc2Cl)n1
InChIInChI=1S/C7H9ClN6S/c1-14-4-10-5(11-14)2-3-9-7-6(8)12-15-13-7/h4H,2-3H2,1H3,(H,9,13)
InChIKeyHBJMFKFZGOFRON-UHFFFAOYSA-N
XLogP0.97
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.71
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-chloro-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,5-thiadiazol-3-amine 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

3,6-dichloro-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,4-triazin-5-amine
CID 81037852
6-chloro-4-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-4,5-diamine
CID 80681526
5-methyl-4-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-6-N-propylpyrimidine-4,6-diamine
CID 80853003
N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,4-thiadiazol-5-amine
CID 80689655
5-iodo-4-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]-1H-pyrimidin-6-one
CID 136956954
2-chloro-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine
CID 80688951
5-methyl-4-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-2,4-diamine
CID 80854180
3-amino-5-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]-1,2-thiazole-4-carbonitrile
CID 103383493
4-chloro-1-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]benzene-1,2-diamine
CID 80680586
5-bromo-3-fluoro-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyridin-2-amine
CID 104924731
5-methyl-4-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-2-propylpyrimidine-4,6-diamine
CID 80991865
4-chloro-6-methoxy-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1,3,5-triazin-2-amine
CID 80689265

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,5-thiadiazol-3-amine?
The IUPAC name of 4-chloro-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,5-thiadiazol-3-amine (CID 80688542) is 4-chloro-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,5-thiadiazol-3-amine.
What is the SMILES notation for 4-chloro-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,5-thiadiazol-3-amine?
The canonical SMILES for 4-chloro-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,5-thiadiazol-3-amine is Cn1cnc(CCNc2nsnc2Cl)n1.
What is the InChIKey of 4-chloro-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,5-thiadiazol-3-amine?
The InChIKey is HBJMFKFZGOFRON-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN6S/c1-14-4-10-5(11-14)2-3-9-7-6(8)12-15-13-7/h4H,2-3H2,1H3,(H,9,13).
What are the key properties of 4-chloro-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,5-thiadiazol-3-amine?
4-chloro-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,5-thiadiazol-3-amine has a molecular weight of 244.71 g/mol, XLogP of 0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,5-thiadiazol-3-amine is sourced from PubChem (CID 80688542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).