2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-ethylpentanenitrile

C11H17ClN6 — CID 110189425

IUPAC2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-ethylpentanenitrile
SMILESCCCC(C#N)(CC)Nc1nc(Cl)nc(NC)n1
InChIInChI=1S/C11H17ClN6/c1-4-6-11(5-2,7-13)18-10-16-8(12)15-9(14-3)17-10/h4-6H2,1-3H3,(H2,14,15,16,17,18)
InChIKeyGFWIKZCJVXQYMI-UHFFFAOYSA-N
MW268.75 g/mol
LogP2.45
Rot. Bonds6

About 2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-ethylpentanenitrile

2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-ethylpentanenitrile (PubChem CID 110189425) has the molecular formula C11H17ClN6 and a molecular weight of 268.75 g/mol. Its IUPAC name is 2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-ethylpentanenitrile.

Molecular Properties

Compound Name2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-ethylpentanenitrile
PubChem CID110189425
Molecular FormulaC11H17ClN6
Molecular Weight268.75 g/mol
Exact Mass268.12
IUPAC Name2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-ethylpentanenitrile
SMILESCCCC(C#N)(CC)Nc1nc(Cl)nc(NC)n1
InChIInChI=1S/C11H17ClN6/c1-4-6-11(5-2,7-13)18-10-16-8(12)15-9(14-3)17-10/h4-6H2,1-3H3,(H2,14,15,16,17,18)
InChIKeyGFWIKZCJVXQYMI-UHFFFAOYSA-N
XLogP2.45
TPSA86.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.75
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-ethylpentanenitrile 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-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-(hydroxymethyl)propane-1,3-diol
CID 114009564
4,6-dichloro-N-(2-methylpentan-2-yl)-1,3,5-triazin-2-amine
CID 6430811
6-chloro-4-N-methyl-2-N-octyl-1,3,5-triazine-2,4-diamine
CID 113336801
2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-(cyanomethyl)amino]acetonitrile
CID 80754360
6-chloro-4-N-methyl-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine
CID 54353580
6-chloro-4-N-ethyl-2-N-(trifluoromethyl)-1,3,5-triazine-2,4-diamine;methane
CID 88700506
2-ethyl-2-(methylamino)butanenitrile
CID 43115036
2-(ethylamino)-2-propylpentanenitrile
CID 28899821
6-chloro-2-N-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 119092780
2-(3-chloroanilino)-2-ethylhexanenitrile
CID 63951845
2-ethyl-2-(3-methoxyanilino)pentanenitrile
CID 114079942
hydron;2-N,4-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine;trihydrate
CID 174669762

Frequently Asked Questions

What is the IUPAC name of 2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-ethylpentanenitrile?
The IUPAC name of 2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-ethylpentanenitrile (CID 110189425) is 2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-ethylpentanenitrile.
What is the SMILES notation for 2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-ethylpentanenitrile?
The canonical SMILES for 2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-ethylpentanenitrile is CCCC(C#N)(CC)Nc1nc(Cl)nc(NC)n1.
What is the InChIKey of 2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-ethylpentanenitrile?
The InChIKey is GFWIKZCJVXQYMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN6/c1-4-6-11(5-2,7-13)18-10-16-8(12)15-9(14-3)17-10/h4-6H2,1-3H3,(H2,14,15,16,17,18).
What are the key properties of 2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-ethylpentanenitrile?
2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-ethylpentanenitrile has a molecular weight of 268.75 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-ethylpentanenitrile is sourced from PubChem (CID 110189425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).