6-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]-2H-1,2,4-triazine-3,5-dione

C11H19N5O3 — CID 106620828

IUPAC6-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]-2H-1,2,4-triazine-3,5-dione
SMILESCOCCN(CC1CCCN1)c1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C11H19N5O3/c1-19-6-5-16(7-8-3-2-4-12-8)9-10(17)13-11(18)15-14-9/h8,12H,2-7H2,1H3,(H2,13,15,17,18)
InChIKeySDDMJLMKOLAQJW-UHFFFAOYSA-N
MW269.30 g/mol
LogP-1.34
Rot. Bonds6

About 6-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]-2H-1,2,4-triazine-3,5-dione

6-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]-2H-1,2,4-triazine-3,5-dione (PubChem CID 106620828) has the molecular formula C11H19N5O3 and a molecular weight of 269.30 g/mol. Its IUPAC name is 6-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]-2H-1,2,4-triazine-3,5-dione
PubChem CID106620828
Molecular FormulaC11H19N5O3
Molecular Weight269.30 g/mol
Exact Mass269.15
IUPAC Name6-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]-2H-1,2,4-triazine-3,5-dione
SMILESCOCCN(CC1CCCN1)c1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C11H19N5O3/c1-19-6-5-16(7-8-3-2-4-12-8)9-10(17)13-11(18)15-14-9/h8,12H,2-7H2,1H3,(H2,13,15,17,18)
InChIKeySDDMJLMKOLAQJW-UHFFFAOYSA-N
XLogP-1.34
TPSA103.11 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 5-1.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]-2H-1,2,4-triazine-3,5-dione (CID 106620828) is 6-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]-2H-1,2,4-triazine-3,5-dione is COCCN(CC1CCCN1)c1n[nH]c(=O)[nH]c1=O.
What is the InChIKey of 6-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]-2H-1,2,4-triazine-3,5-dione?
The InChIKey is SDDMJLMKOLAQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O3/c1-19-6-5-16(7-8-3-2-4-12-8)9-10(17)13-11(18)15-14-9/h8,12H,2-7H2,1H3,(H2,13,15,17,18).
What are the key properties of 6-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]-2H-1,2,4-triazine-3,5-dione?
6-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]-2H-1,2,4-triazine-3,5-dione has a molecular weight of 269.30 g/mol, XLogP of -1.34, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 106620828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).