3-[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-cyclopropylamino]propanenitrile

C13H17ClN6 — CID 62862736

IUPAC3-[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-cyclopropylamino]propanenitrile
SMILESN#CCCN(c1nc(Cl)nc(N2CCCC2)n1)C1CC1
InChIInChI=1S/C13H17ClN6/c14-11-16-12(19-7-1-2-8-19)18-13(17-11)20(9-3-6-15)10-4-5-10/h10H,1-5,7-9H2
InChIKeyUQZSADQXFLIRLG-UHFFFAOYSA-N
MW292.77 g/mol
LogP2.01
Rot. Bonds5

About 3-[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-cyclopropylamino]propanenitrile

3-[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-cyclopropylamino]propanenitrile (PubChem CID 62862736) has the molecular formula C13H17ClN6 and a molecular weight of 292.77 g/mol. Its IUPAC name is 3-[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-cyclopropylamino]propanenitrile.

Molecular Properties

Compound Name3-[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-cyclopropylamino]propanenitrile
PubChem CID62862736
Molecular FormulaC13H17ClN6
Molecular Weight292.77 g/mol
Exact Mass292.12
IUPAC Name3-[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-cyclopropylamino]propanenitrile
SMILESN#CCCN(c1nc(Cl)nc(N2CCCC2)n1)C1CC1
InChIInChI=1S/C13H17ClN6/c14-11-16-12(19-7-1-2-8-19)18-13(17-11)20(9-3-6-15)10-4-5-10/h10H,1-5,7-9H2
InChIKeyUQZSADQXFLIRLG-UHFFFAOYSA-N
XLogP2.01
TPSA68.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-cyclopropylamino]propanenitrile?
The IUPAC name of 3-[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-cyclopropylamino]propanenitrile (CID 62862736) is 3-[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-cyclopropylamino]propanenitrile.
What is the SMILES notation for 3-[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-cyclopropylamino]propanenitrile?
The canonical SMILES for 3-[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-cyclopropylamino]propanenitrile is N#CCCN(c1nc(Cl)nc(N2CCCC2)n1)C1CC1.
What is the InChIKey of 3-[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-cyclopropylamino]propanenitrile?
The InChIKey is UQZSADQXFLIRLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN6/c14-11-16-12(19-7-1-2-8-19)18-13(17-11)20(9-3-6-15)10-4-5-10/h10H,1-5,7-9H2.
What are the key properties of 3-[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-cyclopropylamino]propanenitrile?
3-[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-cyclopropylamino]propanenitrile has a molecular weight of 292.77 g/mol, XLogP of 2.01, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-cyclopropylamino]propanenitrile is sourced from PubChem (CID 62862736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).