6-chloro-3-[3-(methylaminomethyl)azetidin-1-yl]-1,2,4-triazin-5-amine

C8H13ClN6 — CID 118166230

IUPAC6-chloro-3-[3-(methylaminomethyl)azetidin-1-yl]-1,2,4-triazin-5-amine
SMILESCNCC1CN(c2nnc(Cl)c(N)n2)C1
InChIInChI=1S/C8H13ClN6/c1-11-2-5-3-15(4-5)8-12-7(10)6(9)13-14-8/h5,11H,2-4H2,1H3,(H2,10,12,14)
InChIKeyWANGGDBAFAUSOW-UHFFFAOYSA-N
MW228.69 g/mol
LogP-0.24
Rot. Bonds3

About 6-chloro-3-[3-(methylaminomethyl)azetidin-1-yl]-1,2,4-triazin-5-amine

6-chloro-3-[3-(methylaminomethyl)azetidin-1-yl]-1,2,4-triazin-5-amine (PubChem CID 118166230) has the molecular formula C8H13ClN6 and a molecular weight of 228.69 g/mol. Its IUPAC name is 6-chloro-3-[3-(methylaminomethyl)azetidin-1-yl]-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name6-chloro-3-[3-(methylaminomethyl)azetidin-1-yl]-1,2,4-triazin-5-amine
PubChem CID118166230
Molecular FormulaC8H13ClN6
Molecular Weight228.69 g/mol
Exact Mass228.09
IUPAC Name6-chloro-3-[3-(methylaminomethyl)azetidin-1-yl]-1,2,4-triazin-5-amine
SMILESCNCC1CN(c2nnc(Cl)c(N)n2)C1
InChIInChI=1S/C8H13ClN6/c1-11-2-5-3-15(4-5)8-12-7(10)6(9)13-14-8/h5,11H,2-4H2,1H3,(H2,10,12,14)
InChIKeyWANGGDBAFAUSOW-UHFFFAOYSA-N
XLogP-0.24
TPSA79.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.69
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-chloro-3-[3-(methylaminomethyl)azetidin-1-yl]-1,2,4-triazin-5-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

CID 81037133
CID 81037133
CID 118165976
CID 118165976
CID 118166008
CID 118166008
CID 118166232
CID 118166232
CID 118166265
CID 118166265
CID 118166269
CID 118166269
CID 118190376
CID 118190376
CID 118535190
CID 118535190
CID 123562010
CID 123562010
CID 123736530
CID 123736530
CID 156531514
CID 156531514
CID 13055463
CID 13055463

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[3-(methylaminomethyl)azetidin-1-yl]-1,2,4-triazin-5-amine?
The IUPAC name of 6-chloro-3-[3-(methylaminomethyl)azetidin-1-yl]-1,2,4-triazin-5-amine (CID 118166230) is 6-chloro-3-[3-(methylaminomethyl)azetidin-1-yl]-1,2,4-triazin-5-amine.
What is the SMILES notation for 6-chloro-3-[3-(methylaminomethyl)azetidin-1-yl]-1,2,4-triazin-5-amine?
The canonical SMILES for 6-chloro-3-[3-(methylaminomethyl)azetidin-1-yl]-1,2,4-triazin-5-amine is CNCC1CN(c2nnc(Cl)c(N)n2)C1.
What is the InChIKey of 6-chloro-3-[3-(methylaminomethyl)azetidin-1-yl]-1,2,4-triazin-5-amine?
The InChIKey is WANGGDBAFAUSOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClN6/c1-11-2-5-3-15(4-5)8-12-7(10)6(9)13-14-8/h5,11H,2-4H2,1H3,(H2,10,12,14).
What are the key properties of 6-chloro-3-[3-(methylaminomethyl)azetidin-1-yl]-1,2,4-triazin-5-amine?
6-chloro-3-[3-(methylaminomethyl)azetidin-1-yl]-1,2,4-triazin-5-amine has a molecular weight of 228.69 g/mol, XLogP of -0.24, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[3-(methylaminomethyl)azetidin-1-yl]-1,2,4-triazin-5-amine is sourced from PubChem (CID 118166230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).