4,6-dipyrrolidin-1-yl-1,3,5-triazine-2-carbonitrile

C12H16N6 — CID 714273

IUPAC4,6-dipyrrolidin-1-yl-1,3,5-triazine-2-carbonitrile
SMILESN#Cc1nc(N2CCCC2)nc(N2CCCC2)n1
InChIInChI=1S/C12H16N6/c13-9-10-14-11(17-5-1-2-6-17)16-12(15-10)18-7-3-4-8-18/h1-8H2
InChIKeyZWWZJOQFJBLWJM-UHFFFAOYSA-N
MW244.30 g/mol
LogP0.94
Rot. Bonds2

About 4,6-dipyrrolidin-1-yl-1,3,5-triazine-2-carbonitrile

4,6-dipyrrolidin-1-yl-1,3,5-triazine-2-carbonitrile (PubChem CID 714273) has the molecular formula C12H16N6 and a molecular weight of 244.30 g/mol. Its IUPAC name is 4,6-dipyrrolidin-1-yl-1,3,5-triazine-2-carbonitrile.

Molecular Properties

Compound Name4,6-dipyrrolidin-1-yl-1,3,5-triazine-2-carbonitrile
PubChem CID714273
Molecular FormulaC12H16N6
Molecular Weight244.30 g/mol
Exact Mass244.14
IUPAC Name4,6-dipyrrolidin-1-yl-1,3,5-triazine-2-carbonitrile
SMILESN#Cc1nc(N2CCCC2)nc(N2CCCC2)n1
InChIInChI=1S/C12H16N6/c13-9-10-14-11(17-5-1-2-6-17)16-12(15-10)18-7-3-4-8-18/h1-8H2
InChIKeyZWWZJOQFJBLWJM-UHFFFAOYSA-N
XLogP0.94
TPSA68.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4,6-Bis(dipropylamino)-1,3,5-triazine-2-carbonitrile
CID 1505725
4-Methoxy-6-(pyrrolidin-1-yl)-1,3,5-triazine-2-carbonitrile
CID 714436
N'-hydroxy-4,6-di(pyrrolidin-1-yl)-1,3,5-triazine-2-carboximidamide
CID 135517567
s-Triazine, 2,4-dipyrrolidino-6-methyl-
CID 213568
N'-hydroxy-4,6-dipyrrolidin-1-yl-1,3,5-triazine-2-carboximidamide
CID 4012150
N'-hydroxy-4,6-dipyrrolidin-1-yl-1,3,5-triazine-2-carboximidamide
CID 135788803
2,4-Dimethyl-6-pyrrolidin-1-yl-1,3,5-triazine
CID 58183099
4-Piperidin-1-yl-6-pyrrolidin-1-yl-1,3,5-triazine-2-carbonitrile
CID 69726144
2,4-Dimethyl-6-pyrrolidin-1-yl-1,3,5-triazine;ethane
CID 123337330
2-(4-Amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)acetonitrile
CID 11579331
2,4-Dimethyl-6-[(pyrrolidin-1-yl)methyl]-1,3,5-triazine
CID 71345365
2-(2-Isocyanopyrrolidin-1-yl)-4,6-dimethyl-1,3,5-triazine
CID 160171314

Frequently Asked Questions

What is the IUPAC name of 4,6-dipyrrolidin-1-yl-1,3,5-triazine-2-carbonitrile?
The IUPAC name of 4,6-dipyrrolidin-1-yl-1,3,5-triazine-2-carbonitrile (CID 714273) is 4,6-dipyrrolidin-1-yl-1,3,5-triazine-2-carbonitrile.
What is the SMILES notation for 4,6-dipyrrolidin-1-yl-1,3,5-triazine-2-carbonitrile?
The canonical SMILES for 4,6-dipyrrolidin-1-yl-1,3,5-triazine-2-carbonitrile is N#Cc1nc(N2CCCC2)nc(N2CCCC2)n1.
What is the InChIKey of 4,6-dipyrrolidin-1-yl-1,3,5-triazine-2-carbonitrile?
The InChIKey is ZWWZJOQFJBLWJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6/c13-9-10-14-11(17-5-1-2-6-17)16-12(15-10)18-7-3-4-8-18/h1-8H2.
What are the key properties of 4,6-dipyrrolidin-1-yl-1,3,5-triazine-2-carbonitrile?
4,6-dipyrrolidin-1-yl-1,3,5-triazine-2-carbonitrile has a molecular weight of 244.30 g/mol, XLogP of 0.94, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dipyrrolidin-1-yl-1,3,5-triazine-2-carbonitrile is sourced from PubChem (CID 714273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).