3-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-(2-methylpropyl)amino]propanenitrile

C12H19ClN6 — CID 62864840

IUPAC3-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-(2-methylpropyl)amino]propanenitrile
SMILESCC(C)CN(CCC#N)c1nc(Cl)nc(N(C)C)n1
InChIInChI=1S/C12H19ClN6/c1-9(2)8-19(7-5-6-14)12-16-10(13)15-11(17-12)18(3)4/h9H,5,7-8H2,1-4H3
InChIKeyYLHOHYGDSUKPIB-UHFFFAOYSA-N
MW282.78 g/mol
LogP1.97
Rot. Bonds6

About 3-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-(2-methylpropyl)amino]propanenitrile

3-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-(2-methylpropyl)amino]propanenitrile (PubChem CID 62864840) has the molecular formula C12H19ClN6 and a molecular weight of 282.78 g/mol. Its IUPAC name is 3-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-(2-methylpropyl)amino]propanenitrile.

Molecular Properties

Compound Name3-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-(2-methylpropyl)amino]propanenitrile
PubChem CID62864840
Molecular FormulaC12H19ClN6
Molecular Weight282.78 g/mol
Exact Mass282.14
IUPAC Name3-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-(2-methylpropyl)amino]propanenitrile
SMILESCC(C)CN(CCC#N)c1nc(Cl)nc(N(C)C)n1
InChIInChI=1S/C12H19ClN6/c1-9(2)8-19(7-5-6-14)12-16-10(13)15-11(17-12)18(3)4/h9H,5,7-8H2,1-4H3
InChIKeyYLHOHYGDSUKPIB-UHFFFAOYSA-N
XLogP1.97
TPSA68.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.78
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-(2-methylpropyl)amino]propanenitrile 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

6-chloro-2-N-[2-(dimethylamino)ethyl]-4-N,4-N-dimethyl-2-N-(2-methylpropyl)-1,3,5-triazine-2,4-diamine
CID 62863273
3-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)-(2-methylpropyl)amino]propanenitrile
CID 62864663
6-chloro-2-N-ethyl-4-N,4-N-dimethyl-2-N-(2-methylpropyl)-1,3,5-triazine-2,4-diamine
CID 55125269
6-chloro-2-N,4-N,4-N-triethyl-2-N-(2-methylpropyl)-1,3,5-triazine-2,4-diamine
CID 62864543
3-[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)-(2-methylpropyl)amino]propanenitrile
CID 80812627
1-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-methylamino]propan-2-ol
CID 62864855
[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-(2-chloroethyl)cyanamide
CID 911356
3-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]-methylamino]butanenitrile
CID 63228323
3-[(3,5-dichloro-6-hydrazinyl-2-pyridinyl)-(2-methylpropyl)amino]propanenitrile
CID 102761879
3-[2-methylpropyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propanenitrile
CID 65272434
6-chloro-2-N-[2-(dimethylamino)ethyl]-4-N,4-N-dimethyl-2-N-propyl-1,3,5-triazine-2,4-diamine
CID 62864502
3-[(4-chlorophthalazin-1-yl)-(2-methylpropyl)amino]propanenitrile
CID 62142333

Frequently Asked Questions

What is the IUPAC name of 3-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-(2-methylpropyl)amino]propanenitrile?
The IUPAC name of 3-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-(2-methylpropyl)amino]propanenitrile (CID 62864840) is 3-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-(2-methylpropyl)amino]propanenitrile.
What is the SMILES notation for 3-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-(2-methylpropyl)amino]propanenitrile?
The canonical SMILES for 3-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-(2-methylpropyl)amino]propanenitrile is CC(C)CN(CCC#N)c1nc(Cl)nc(N(C)C)n1.
What is the InChIKey of 3-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-(2-methylpropyl)amino]propanenitrile?
The InChIKey is YLHOHYGDSUKPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN6/c1-9(2)8-19(7-5-6-14)12-16-10(13)15-11(17-12)18(3)4/h9H,5,7-8H2,1-4H3.
What are the key properties of 3-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-(2-methylpropyl)amino]propanenitrile?
3-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-(2-methylpropyl)amino]propanenitrile has a molecular weight of 282.78 g/mol, XLogP of 1.97, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-(2-methylpropyl)amino]propanenitrile is sourced from PubChem (CID 62864840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).