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

C9H11ClN6 — CID 63330953

IUPAC3-chloro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrazin-2-amine
SMILESCn1cnnc1CCNc1nccnc1Cl
InChIInChI=1S/C9H11ClN6/c1-16-6-14-15-7(16)2-3-12-9-8(10)11-4-5-13-9/h4-6H,2-3H2,1H3,(H,12,13)
InChIKeyCGCXLJVEDZCRPY-UHFFFAOYSA-N
MW238.68 g/mol
LogP0.91
Rot. Bonds4

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

3-chloro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrazin-2-amine (PubChem CID 63330953) has the molecular formula C9H11ClN6 and a molecular weight of 238.68 g/mol. Its IUPAC name is 3-chloro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrazin-2-amine.

Molecular Properties

Compound Name3-chloro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrazin-2-amine
PubChem CID63330953
Molecular FormulaC9H11ClN6
Molecular Weight238.68 g/mol
Exact Mass238.07
IUPAC Name3-chloro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrazin-2-amine
SMILESCn1cnnc1CCNc1nccnc1Cl
InChIInChI=1S/C9H11ClN6/c1-16-6-14-15-7(16)2-3-12-9-8(10)11-4-5-13-9/h4-6H,2-3H2,1H3,(H,12,13)
InChIKeyCGCXLJVEDZCRPY-UHFFFAOYSA-N
XLogP0.91
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.68
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

2-Chloro-6-(2-ethyl-1H-imidazol-1-yl)-pyrazine
CID 61405312
5-chloro-N~3~-[(4-cyclopropyl-5-methyl-4H-1,2,4-triazol-3-yl)methyl]pyrazine-2,3-diamine
CID 164513227
N-butyl-5-chloro-[1,2,4]triazolo[4,3-a]pyrazin-3-amine
CID 134129170
3-Fluoro-n-[(1-methyl-1h-1,2,4-triazol-5-yl)methyl]pyrazin-2-amine
CID 164648201
8-Chloro-3-propyl-[1,2,4]triazolo[4,3-a]pyrazine
CID 64369272
8-chloro-N-methyl-[1,2,4]triazolo[1,5-a]pyrazin-2-amine
CID 87059072
6-Chloro-N,3-dimethyl-1,2,4-triazolo[4,3-a]pyrazin-8-amine
CID 139366128
6-chloro-N-isopropyl-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 139366152
6-chloro-N,3-dimethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine;ethane
CID 153328760
4-chloro-6-methyl-N-[3-(3-methylimidazol-3-ium-1-yl)propyl]-1,3,5-triazin-2-amine
CID 166965393
2-N-propylimidazo[2,1-f][1,2,4]triazine-2,4-diamine
CID 175997383
[(1S)-1-[2-(5-chloropyrazin-2-yl)-1,2,4-triazol-3-yl]ethyl]azanium chloride
CID 178027949

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrazin-2-amine?
The IUPAC name of 3-chloro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrazin-2-amine (CID 63330953) is 3-chloro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrazin-2-amine.
What is the SMILES notation for 3-chloro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrazin-2-amine?
The canonical SMILES for 3-chloro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrazin-2-amine is Cn1cnnc1CCNc1nccnc1Cl.
What is the InChIKey of 3-chloro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrazin-2-amine?
The InChIKey is CGCXLJVEDZCRPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN6/c1-16-6-14-15-7(16)2-3-12-9-8(10)11-4-5-13-9/h4-6H,2-3H2,1H3,(H,12,13).
What are the key properties of 3-chloro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrazin-2-amine?
3-chloro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrazin-2-amine has a molecular weight of 238.68 g/mol, XLogP of 0.91, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrazin-2-amine is sourced from PubChem (CID 63330953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).