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

C13H20ClN5O — CID 62864663

IUPAC3-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)-(2-methylpropyl)amino]propanenitrile
SMILESCC(C)CN(CCC#N)c1nc(Cl)nc(OC(C)C)n1
InChIInChI=1S/C13H20ClN5O/c1-9(2)8-19(7-5-6-15)12-16-11(14)17-13(18-12)20-10(3)4/h9-10H,5,7-8H2,1-4H3
InChIKeyGOMUWDXLMAWDPT-UHFFFAOYSA-N
MW297.79 g/mol
LogP2.69
Rot. Bonds7

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

3-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)-(2-methylpropyl)amino]propanenitrile (PubChem CID 62864663) has the molecular formula C13H20ClN5O and a molecular weight of 297.79 g/mol. Its IUPAC name is 3-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)-(2-methylpropyl)amino]propanenitrile.

Molecular Properties

Compound Name3-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)-(2-methylpropyl)amino]propanenitrile
PubChem CID62864663
Molecular FormulaC13H20ClN5O
Molecular Weight297.79 g/mol
Exact Mass297.14
IUPAC Name3-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)-(2-methylpropyl)amino]propanenitrile
SMILESCC(C)CN(CCC#N)c1nc(Cl)nc(OC(C)C)n1
InChIInChI=1S/C13H20ClN5O/c1-9(2)8-19(7-5-6-15)12-16-11(14)17-13(18-12)20-10(3)4/h9-10H,5,7-8H2,1-4H3
InChIKeyGOMUWDXLMAWDPT-UHFFFAOYSA-N
XLogP2.69
TPSA74.93 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)-(2-methylpropyl)amino]propanenitrile with MolForge

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Related Compounds

3-[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)-(2-methylpropyl)amino]propanenitrile
CID 80812627
3-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-(2-methylpropyl)amino]propanenitrile
CID 62864840
4-chloro-6-ethoxy-N-(2-methoxyethyl)-N-(2-methylpropyl)-1,3,5-triazin-2-amine
CID 62858546
2-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)-propan-2-ylamino]ethanol
CID 62863945
1-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)-ethylamino]-2-methylpropan-2-ol
CID 79386097
3-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)-ethylamino]-2-methylpropanenitrile
CID 62864991
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
6-chloro-2-N,4-N,4-N-triethyl-2-N-(2-methylpropyl)-1,3,5-triazine-2,4-diamine
CID 62864543
3-[3-amino-N-(2-methylpropyl)-5-propan-2-yloxyanilino]propanenitrile
CID 80738390
4-chloro-N-cyclopropyl-N-(cyclopropylmethyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 64520815
4-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)oxy]benzonitrile
CID 62868776
3-[(3,5-dichloro-6-hydrazinyl-2-pyridinyl)-(2-methylpropyl)amino]propanenitrile
CID 102761879

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)-(2-methylpropyl)amino]propanenitrile?
The IUPAC name of 3-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)-(2-methylpropyl)amino]propanenitrile (CID 62864663) is 3-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)-(2-methylpropyl)amino]propanenitrile.
What is the SMILES notation for 3-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)-(2-methylpropyl)amino]propanenitrile?
The canonical SMILES for 3-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)-(2-methylpropyl)amino]propanenitrile is CC(C)CN(CCC#N)c1nc(Cl)nc(OC(C)C)n1.
What is the InChIKey of 3-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)-(2-methylpropyl)amino]propanenitrile?
The InChIKey is GOMUWDXLMAWDPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN5O/c1-9(2)8-19(7-5-6-15)12-16-11(14)17-13(18-12)20-10(3)4/h9-10H,5,7-8H2,1-4H3.
What are the key properties of 3-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)-(2-methylpropyl)amino]propanenitrile?
3-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)-(2-methylpropyl)amino]propanenitrile has a molecular weight of 297.79 g/mol, XLogP of 2.69, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)-(2-methylpropyl)amino]propanenitrile is sourced from PubChem (CID 62864663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).