6-[4-(methylaminomethyl)piperidin-1-yl]-2H-1,2,4-triazine-3,5-dione

C10H17N5O2 — CID 55169107

IUPAC6-[4-(methylaminomethyl)piperidin-1-yl]-2H-1,2,4-triazine-3,5-dione
SMILESCNCC1CCN(c2n[nH]c(=O)[nH]c2=O)CC1
InChIInChI=1S/C10H17N5O2/c1-11-6-7-2-4-15(5-3-7)8-9(16)12-10(17)14-13-8/h7,11H,2-6H2,1H3,(H2,12,14,16,17)
InChIKeyPAHCDLSFTMGCTH-UHFFFAOYSA-N
MW239.28 g/mol
LogP-1.11
Rot. Bonds3

About 6-[4-(methylaminomethyl)piperidin-1-yl]-2H-1,2,4-triazine-3,5-dione

6-[4-(methylaminomethyl)piperidin-1-yl]-2H-1,2,4-triazine-3,5-dione (PubChem CID 55169107) has the molecular formula C10H17N5O2 and a molecular weight of 239.28 g/mol. Its IUPAC name is 6-[4-(methylaminomethyl)piperidin-1-yl]-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[4-(methylaminomethyl)piperidin-1-yl]-2H-1,2,4-triazine-3,5-dione
PubChem CID55169107
Molecular FormulaC10H17N5O2
Molecular Weight239.28 g/mol
Exact Mass239.14
IUPAC Name6-[4-(methylaminomethyl)piperidin-1-yl]-2H-1,2,4-triazine-3,5-dione
SMILESCNCC1CCN(c2n[nH]c(=O)[nH]c2=O)CC1
InChIInChI=1S/C10H17N5O2/c1-11-6-7-2-4-15(5-3-7)8-9(16)12-10(17)14-13-8/h7,11H,2-6H2,1H3,(H2,12,14,16,17)
InChIKeyPAHCDLSFTMGCTH-UHFFFAOYSA-N
XLogP-1.11
TPSA93.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 5-1.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(methylaminomethyl)piperidin-1-yl]-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[4-(methylaminomethyl)piperidin-1-yl]-2H-1,2,4-triazine-3,5-dione (CID 55169107) is 6-[4-(methylaminomethyl)piperidin-1-yl]-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[4-(methylaminomethyl)piperidin-1-yl]-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[4-(methylaminomethyl)piperidin-1-yl]-2H-1,2,4-triazine-3,5-dione is CNCC1CCN(c2n[nH]c(=O)[nH]c2=O)CC1.
What is the InChIKey of 6-[4-(methylaminomethyl)piperidin-1-yl]-2H-1,2,4-triazine-3,5-dione?
The InChIKey is PAHCDLSFTMGCTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2/c1-11-6-7-2-4-15(5-3-7)8-9(16)12-10(17)14-13-8/h7,11H,2-6H2,1H3,(H2,12,14,16,17).
What are the key properties of 6-[4-(methylaminomethyl)piperidin-1-yl]-2H-1,2,4-triazine-3,5-dione?
6-[4-(methylaminomethyl)piperidin-1-yl]-2H-1,2,4-triazine-3,5-dione has a molecular weight of 239.28 g/mol, XLogP of -1.11, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(methylaminomethyl)piperidin-1-yl]-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 55169107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).