chloromethane;1-[2-(1-ethyl-6-oxopyridazin-3-yl)-1,2,4-triazol-3-yl]ethylazanium

C11H18ClN6O+ — CID 168917072

IUPACchloromethane;1-[2-(1-ethyl-6-oxopyridazin-3-yl)-1,2,4-triazol-3-yl]ethylazanium
SMILESCCl.CCn1nc(-n2ncnc2C(C)[NH3+])ccc1=O
InChIInChI=1S/C10H14N6O.CH3Cl/c1-3-15-9(17)5-4-8(14-15)16-10(7(2)11)12-6-13-16;1-2/h4-7H,3,11H2,1-2H3;1H3/p+1
InChIKeyRVLFDGNDDNELCG-UHFFFAOYSA-O
MW285.76 g/mol
LogP0.00
Rot. Bonds3

About chloromethane;1-[2-(1-ethyl-6-oxopyridazin-3-yl)-1,2,4-triazol-3-yl]ethylazanium

chloromethane;1-[2-(1-ethyl-6-oxopyridazin-3-yl)-1,2,4-triazol-3-yl]ethylazanium (PubChem CID 168917072) has the molecular formula C11H18ClN6O+ and a molecular weight of 285.76 g/mol. Its IUPAC name is chloromethane;1-[2-(1-ethyl-6-oxopyridazin-3-yl)-1,2,4-triazol-3-yl]ethylazanium.

Molecular Properties

Compound Namechloromethane;1-[2-(1-ethyl-6-oxopyridazin-3-yl)-1,2,4-triazol-3-yl]ethylazanium
PubChem CID168917072
Molecular FormulaC11H18ClN6O+
Molecular Weight285.76 g/mol
Exact Mass285.12
IUPAC Namechloromethane;1-[2-(1-ethyl-6-oxopyridazin-3-yl)-1,2,4-triazol-3-yl]ethylazanium
SMILESCCl.CCn1nc(-n2ncnc2C(C)[NH3+])ccc1=O
InChIInChI=1S/C10H14N6O.CH3Cl/c1-3-15-9(17)5-4-8(14-15)16-10(7(2)11)12-6-13-16;1-2/h4-7H,3,11H2,1-2H3;1H3/p+1
InChIKeyRVLFDGNDDNELCG-UHFFFAOYSA-O
XLogP0.00
TPSA93.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.76
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze chloromethane;1-[2-(1-ethyl-6-oxopyridazin-3-yl)-1,2,4-triazol-3-yl]ethylazanium 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 chloromethane;1-[2-(1-ethyl-6-oxopyridazin-3-yl)-1,2,4-triazol-3-yl]ethylazanium?
The IUPAC name of chloromethane;1-[2-(1-ethyl-6-oxopyridazin-3-yl)-1,2,4-triazol-3-yl]ethylazanium (CID 168917072) is chloromethane;1-[2-(1-ethyl-6-oxopyridazin-3-yl)-1,2,4-triazol-3-yl]ethylazanium.
What is the SMILES notation for chloromethane;1-[2-(1-ethyl-6-oxopyridazin-3-yl)-1,2,4-triazol-3-yl]ethylazanium?
The canonical SMILES for chloromethane;1-[2-(1-ethyl-6-oxopyridazin-3-yl)-1,2,4-triazol-3-yl]ethylazanium is CCl.CCn1nc(-n2ncnc2C(C)[NH3+])ccc1=O.
What is the InChIKey of chloromethane;1-[2-(1-ethyl-6-oxopyridazin-3-yl)-1,2,4-triazol-3-yl]ethylazanium?
The InChIKey is RVLFDGNDDNELCG-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H14N6O.CH3Cl/c1-3-15-9(17)5-4-8(14-15)16-10(7(2)11)12-6-13-16;1-2/h4-7H,3,11H2,1-2H3;1H3/p+1.
What are the key properties of chloromethane;1-[2-(1-ethyl-6-oxopyridazin-3-yl)-1,2,4-triazol-3-yl]ethylazanium?
chloromethane;1-[2-(1-ethyl-6-oxopyridazin-3-yl)-1,2,4-triazol-3-yl]ethylazanium has a molecular weight of 285.76 g/mol, XLogP of 0.00, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for chloromethane;1-[2-(1-ethyl-6-oxopyridazin-3-yl)-1,2,4-triazol-3-yl]ethylazanium is sourced from PubChem (CID 168917072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).