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

C10H15ClN6 — CID 71727397

IUPAC2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-ethylbutanenitrile
SMILESCCC(C#N)(CC)Nc1nc(Cl)nc(NC)n1
InChIInChI=1S/C10H15ClN6/c1-4-10(5-2,6-12)17-9-15-7(11)14-8(13-3)16-9/h4-5H2,1-3H3,(H2,13,14,15,16,17)
InChIKeyYIFWSJXGRGEIDE-UHFFFAOYSA-N
MW254.72 g/mol
LogP2.06
Rot. Bonds5

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

2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-ethylbutanenitrile (PubChem CID 71727397) has the molecular formula C10H15ClN6 and a molecular weight of 254.72 g/mol. Its IUPAC name is 2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-ethylbutanenitrile.

Molecular Properties

Compound Name2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-ethylbutanenitrile
PubChem CID71727397
Molecular FormulaC10H15ClN6
Molecular Weight254.72 g/mol
Exact Mass254.10
IUPAC Name2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-ethylbutanenitrile
SMILESCCC(C#N)(CC)Nc1nc(Cl)nc(NC)n1
InChIInChI=1S/C10H15ClN6/c1-4-10(5-2,6-12)17-9-15-7(11)14-8(13-3)16-9/h4-5H2,1-3H3,(H2,13,14,15,16,17)
InChIKeyYIFWSJXGRGEIDE-UHFFFAOYSA-N
XLogP2.06
TPSA86.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-ethylbutanenitrile with MolForge

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Related Compounds

Cyanazine
CID 30773
Procyazine
CID 36274
1,3,5-Triazine, 2-tert-butylamino-4-chloro-6-propylamino-
CID 615138
N-tert-Butyl-6-chloro-N'-methyl-[1,3,5]triazine-2,4-diamine
CID 36755
2-[[4-Chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropanenitrile
CID 13747863
(2S)-2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-2-methylbutanenitrile
CID 449582
6-chloro-4-N-methyl-2-N-(3-methylpentan-3-yl)-1,3,5-triazine-2,4-diamine
CID 71727293
1-[[4-Chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile
CID 71727398
1-[[4-Chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclopentane-1-carbonitrile
CID 71727399
1-[[4-Chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]cycloheptane-1-carbonitrile
CID 71727400
2-[[4-Chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-propylpentanenitrile
CID 71727401
1-[[4-Chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile
CID 71727501

Frequently Asked Questions

What is the IUPAC name of 2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-ethylbutanenitrile?
The IUPAC name of 2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-ethylbutanenitrile (CID 71727397) is 2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-ethylbutanenitrile.
What is the SMILES notation for 2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-ethylbutanenitrile?
The canonical SMILES for 2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-ethylbutanenitrile is CCC(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-ethylbutanenitrile?
The InChIKey is YIFWSJXGRGEIDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN6/c1-4-10(5-2,6-12)17-9-15-7(11)14-8(13-3)16-9/h4-5H2,1-3H3,(H2,13,14,15,16,17).
What are the key properties of 2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-ethylbutanenitrile?
2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-ethylbutanenitrile has a molecular weight of 254.72 g/mol, XLogP of 2.06, 5 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-ethylbutanenitrile is sourced from PubChem (CID 71727397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).