6-[(3-oxo-3-piperidin-1-ylpropyl)amino]-2H-1,2,4-triazine-3,5-dione

C11H17N5O3 — CID 647816

IUPAC6-[(3-oxo-3-piperidin-1-ylpropyl)amino]-2H-1,2,4-triazine-3,5-dione
SMILESO=C(CCNc1n[nH]c(=O)[nH]c1=O)N1CCCCC1
InChIInChI=1S/C11H17N5O3/c17-8(16-6-2-1-3-7-16)4-5-12-9-10(18)13-11(19)15-14-9/h1-7H2,(H,12,14)(H2,13,15,18,19)
InChIKeySADJMAKSZWYUNI-UHFFFAOYSA-N
MW267.29 g/mol
LogP-0.73
Rot. Bonds4

About 6-[(3-oxo-3-piperidin-1-ylpropyl)amino]-2H-1,2,4-triazine-3,5-dione

6-[(3-oxo-3-piperidin-1-ylpropyl)amino]-2H-1,2,4-triazine-3,5-dione (PubChem CID 647816) has the molecular formula C11H17N5O3 and a molecular weight of 267.29 g/mol. Its IUPAC name is 6-[(3-oxo-3-piperidin-1-ylpropyl)amino]-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[(3-oxo-3-piperidin-1-ylpropyl)amino]-2H-1,2,4-triazine-3,5-dione
PubChem CID647816
Molecular FormulaC11H17N5O3
Molecular Weight267.29 g/mol
Exact Mass267.13
IUPAC Name6-[(3-oxo-3-piperidin-1-ylpropyl)amino]-2H-1,2,4-triazine-3,5-dione
SMILESO=C(CCNc1n[nH]c(=O)[nH]c1=O)N1CCCCC1
InChIInChI=1S/C11H17N5O3/c17-8(16-6-2-1-3-7-16)4-5-12-9-10(18)13-11(19)15-14-9/h1-7H2,(H,12,14)(H2,13,15,18,19)
InChIKeySADJMAKSZWYUNI-UHFFFAOYSA-N
XLogP-0.73
TPSA110.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 5-0.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(3-oxo-3-piperidin-1-ylpropyl)amino]-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[(3-oxo-3-piperidin-1-ylpropyl)amino]-2H-1,2,4-triazine-3,5-dione (CID 647816) is 6-[(3-oxo-3-piperidin-1-ylpropyl)amino]-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[(3-oxo-3-piperidin-1-ylpropyl)amino]-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[(3-oxo-3-piperidin-1-ylpropyl)amino]-2H-1,2,4-triazine-3,5-dione is O=C(CCNc1n[nH]c(=O)[nH]c1=O)N1CCCCC1.
What is the InChIKey of 6-[(3-oxo-3-piperidin-1-ylpropyl)amino]-2H-1,2,4-triazine-3,5-dione?
The InChIKey is SADJMAKSZWYUNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O3/c17-8(16-6-2-1-3-7-16)4-5-12-9-10(18)13-11(19)15-14-9/h1-7H2,(H,12,14)(H2,13,15,18,19).
What are the key properties of 6-[(3-oxo-3-piperidin-1-ylpropyl)amino]-2H-1,2,4-triazine-3,5-dione?
6-[(3-oxo-3-piperidin-1-ylpropyl)amino]-2H-1,2,4-triazine-3,5-dione has a molecular weight of 267.29 g/mol, XLogP of -0.73, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-oxo-3-piperidin-1-ylpropyl)amino]-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 647816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).