8-cyclopentyl-6-methyl-3-(2-piperidin-1-ylethylamino)pyrimido[5,4-e][1,2,4]triazine-5,7-dione

C18H27N7O2 — CID 67308040

IUPAC8-cyclopentyl-6-methyl-3-(2-piperidin-1-ylethylamino)pyrimido[5,4-e][1,2,4]triazine-5,7-dione
SMILESCn1c(=O)c2nc(NCCN3CCCCC3)nnc2n(C2CCCC2)c1=O
InChIInChI=1S/C18H27N7O2/c1-23-16(26)14-15(25(18(23)27)13-7-3-4-8-13)21-22-17(20-14)19-9-12-24-10-5-2-6-11-24/h13H,2-12H2,1H3,(H,19,20,22)
InChIKeyUSIXBZRWKUKAQP-UHFFFAOYSA-N
MW373.46 g/mol
LogP0.90
Rot. Bonds5

About 8-cyclopentyl-6-methyl-3-(2-piperidin-1-ylethylamino)pyrimido[5,4-e][1,2,4]triazine-5,7-dione

8-cyclopentyl-6-methyl-3-(2-piperidin-1-ylethylamino)pyrimido[5,4-e][1,2,4]triazine-5,7-dione (PubChem CID 67308040) has the molecular formula C18H27N7O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is 8-cyclopentyl-6-methyl-3-(2-piperidin-1-ylethylamino)pyrimido[5,4-e][1,2,4]triazine-5,7-dione.

Molecular Properties

Compound Name8-cyclopentyl-6-methyl-3-(2-piperidin-1-ylethylamino)pyrimido[5,4-e][1,2,4]triazine-5,7-dione
PubChem CID67308040
Molecular FormulaC18H27N7O2
Molecular Weight373.46 g/mol
Exact Mass373.22
IUPAC Name8-cyclopentyl-6-methyl-3-(2-piperidin-1-ylethylamino)pyrimido[5,4-e][1,2,4]triazine-5,7-dione
SMILESCn1c(=O)c2nc(NCCN3CCCCC3)nnc2n(C2CCCC2)c1=O
InChIInChI=1S/C18H27N7O2/c1-23-16(26)14-15(25(18(23)27)13-7-3-4-8-13)21-22-17(20-14)19-9-12-24-10-5-2-6-11-24/h13H,2-12H2,1H3,(H,19,20,22)
InChIKeyUSIXBZRWKUKAQP-UHFFFAOYSA-N
XLogP0.90
TPSA97.94 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 8-cyclopentyl-6-methyl-3-(2-piperidin-1-ylethylamino)pyrimido[5,4-e][1,2,4]triazine-5,7-dione?
The IUPAC name of 8-cyclopentyl-6-methyl-3-(2-piperidin-1-ylethylamino)pyrimido[5,4-e][1,2,4]triazine-5,7-dione (CID 67308040) is 8-cyclopentyl-6-methyl-3-(2-piperidin-1-ylethylamino)pyrimido[5,4-e][1,2,4]triazine-5,7-dione.
What is the SMILES notation for 8-cyclopentyl-6-methyl-3-(2-piperidin-1-ylethylamino)pyrimido[5,4-e][1,2,4]triazine-5,7-dione?
The canonical SMILES for 8-cyclopentyl-6-methyl-3-(2-piperidin-1-ylethylamino)pyrimido[5,4-e][1,2,4]triazine-5,7-dione is Cn1c(=O)c2nc(NCCN3CCCCC3)nnc2n(C2CCCC2)c1=O.
What is the InChIKey of 8-cyclopentyl-6-methyl-3-(2-piperidin-1-ylethylamino)pyrimido[5,4-e][1,2,4]triazine-5,7-dione?
The InChIKey is USIXBZRWKUKAQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N7O2/c1-23-16(26)14-15(25(18(23)27)13-7-3-4-8-13)21-22-17(20-14)19-9-12-24-10-5-2-6-11-24/h13H,2-12H2,1H3,(H,19,20,22).
What are the key properties of 8-cyclopentyl-6-methyl-3-(2-piperidin-1-ylethylamino)pyrimido[5,4-e][1,2,4]triazine-5,7-dione?
8-cyclopentyl-6-methyl-3-(2-piperidin-1-ylethylamino)pyrimido[5,4-e][1,2,4]triazine-5,7-dione has a molecular weight of 373.46 g/mol, XLogP of 0.90, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopentyl-6-methyl-3-(2-piperidin-1-ylethylamino)pyrimido[5,4-e][1,2,4]triazine-5,7-dione is sourced from PubChem (CID 67308040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).