2-[4-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperazin-1-yl]pyridine-4-carbonitrile

C17H23N9 — CID 42957779

IUPAC2-[4-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperazin-1-yl]pyridine-4-carbonitrile
SMILESCC(c1nc(N)nc(N(C)C)n1)N1CCN(c2cc(C#N)ccn2)CC1
InChIInChI=1S/C17H23N9/c1-12(15-21-16(19)23-17(22-15)24(2)3)25-6-8-26(9-7-25)14-10-13(11-18)4-5-20-14/h4-5,10,12H,6-9H2,1-3H3,(H2,19,21,22,23)
InChIKeyDYTHGWLAAHULIH-UHFFFAOYSA-N
MW353.43 g/mol
LogP0.67
Rot. Bonds4

About 2-[4-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperazin-1-yl]pyridine-4-carbonitrile

2-[4-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperazin-1-yl]pyridine-4-carbonitrile (PubChem CID 42957779) has the molecular formula C17H23N9 and a molecular weight of 353.43 g/mol. Its IUPAC name is 2-[4-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperazin-1-yl]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[4-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperazin-1-yl]pyridine-4-carbonitrile
PubChem CID42957779
Molecular FormulaC17H23N9
Molecular Weight353.43 g/mol
Exact Mass353.21
IUPAC Name2-[4-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperazin-1-yl]pyridine-4-carbonitrile
SMILESCC(c1nc(N)nc(N(C)C)n1)N1CCN(c2cc(C#N)ccn2)CC1
InChIInChI=1S/C17H23N9/c1-12(15-21-16(19)23-17(22-15)24(2)3)25-6-8-26(9-7-25)14-10-13(11-18)4-5-20-14/h4-5,10,12H,6-9H2,1-3H3,(H2,19,21,22,23)
InChIKeyDYTHGWLAAHULIH-UHFFFAOYSA-N
XLogP0.67
TPSA111.09 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperazin-1-yl]pyridine-4-carbonitrile?
The IUPAC name of 2-[4-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperazin-1-yl]pyridine-4-carbonitrile (CID 42957779) is 2-[4-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperazin-1-yl]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[4-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperazin-1-yl]pyridine-4-carbonitrile?
The canonical SMILES for 2-[4-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperazin-1-yl]pyridine-4-carbonitrile is CC(c1nc(N)nc(N(C)C)n1)N1CCN(c2cc(C#N)ccn2)CC1.
What is the InChIKey of 2-[4-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperazin-1-yl]pyridine-4-carbonitrile?
The InChIKey is DYTHGWLAAHULIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N9/c1-12(15-21-16(19)23-17(22-15)24(2)3)25-6-8-26(9-7-25)14-10-13(11-18)4-5-20-14/h4-5,10,12H,6-9H2,1-3H3,(H2,19,21,22,23).
What are the key properties of 2-[4-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperazin-1-yl]pyridine-4-carbonitrile?
2-[4-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperazin-1-yl]pyridine-4-carbonitrile has a molecular weight of 353.43 g/mol, XLogP of 0.67, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperazin-1-yl]pyridine-4-carbonitrile is sourced from PubChem (CID 42957779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).