6-[(3-morpholin-4-yl-3-oxopropyl)amino]-2H-1,2,4-triazine-3,5-dione

C10H15N5O4 — CID 655160

IUPAC6-[(3-morpholin-4-yl-3-oxopropyl)amino]-2H-1,2,4-triazine-3,5-dione
SMILESO=C(CCNc1n[nH]c(=O)[nH]c1=O)N1CCOCC1
InChIInChI=1S/C10H15N5O4/c16-7(15-3-5-19-6-4-15)1-2-11-8-9(17)12-10(18)14-13-8/h1-6H2,(H,11,13)(H2,12,14,17,18)
InChIKeyVJGWULCSZFVBSK-UHFFFAOYSA-N
MW269.26 g/mol
LogP-1.88
Rot. Bonds4

About 6-[(3-morpholin-4-yl-3-oxopropyl)amino]-2H-1,2,4-triazine-3,5-dione

6-[(3-morpholin-4-yl-3-oxopropyl)amino]-2H-1,2,4-triazine-3,5-dione (PubChem CID 655160) has the molecular formula C10H15N5O4 and a molecular weight of 269.26 g/mol. Its IUPAC name is 6-[(3-morpholin-4-yl-3-oxopropyl)amino]-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[(3-morpholin-4-yl-3-oxopropyl)amino]-2H-1,2,4-triazine-3,5-dione
PubChem CID655160
Molecular FormulaC10H15N5O4
Molecular Weight269.26 g/mol
Exact Mass269.11
IUPAC Name6-[(3-morpholin-4-yl-3-oxopropyl)amino]-2H-1,2,4-triazine-3,5-dione
SMILESO=C(CCNc1n[nH]c(=O)[nH]c1=O)N1CCOCC1
InChIInChI=1S/C10H15N5O4/c16-7(15-3-5-19-6-4-15)1-2-11-8-9(17)12-10(18)14-13-8/h1-6H2,(H,11,13)(H2,12,14,17,18)
InChIKeyVJGWULCSZFVBSK-UHFFFAOYSA-N
XLogP-1.88
TPSA120.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 5-1.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(3-morpholin-4-yl-3-oxopropyl)amino]-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[(3-morpholin-4-yl-3-oxopropyl)amino]-2H-1,2,4-triazine-3,5-dione (CID 655160) is 6-[(3-morpholin-4-yl-3-oxopropyl)amino]-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[(3-morpholin-4-yl-3-oxopropyl)amino]-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[(3-morpholin-4-yl-3-oxopropyl)amino]-2H-1,2,4-triazine-3,5-dione is O=C(CCNc1n[nH]c(=O)[nH]c1=O)N1CCOCC1.
What is the InChIKey of 6-[(3-morpholin-4-yl-3-oxopropyl)amino]-2H-1,2,4-triazine-3,5-dione?
The InChIKey is VJGWULCSZFVBSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O4/c16-7(15-3-5-19-6-4-15)1-2-11-8-9(17)12-10(18)14-13-8/h1-6H2,(H,11,13)(H2,12,14,17,18).
What are the key properties of 6-[(3-morpholin-4-yl-3-oxopropyl)amino]-2H-1,2,4-triazine-3,5-dione?
6-[(3-morpholin-4-yl-3-oxopropyl)amino]-2H-1,2,4-triazine-3,5-dione has a molecular weight of 269.26 g/mol, XLogP of -1.88, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-morpholin-4-yl-3-oxopropyl)amino]-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 655160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).