1-(1,2,3,4-tetrahydropyrazino[1,2-a]indol-7-yl)-1,3-diazinane-2,4-dione

C15H16N4O2 — CID 169002972

IUPAC1-(1,2,3,4-tetrahydropyrazino[1,2-a]indol-7-yl)-1,3-diazinane-2,4-dione
SMILESO=C1CCN(c2ccc3cc4n(c3c2)CCNC4)C(=O)N1
InChIInChI=1S/C15H16N4O2/c20-14-3-5-19(15(21)17-14)11-2-1-10-7-12-9-16-4-6-18(12)13(10)8-11/h1-2,7-8,16H,3-6,9H2,(H,17,20,21)
InChIKeyBBVXSGWTTDUHQQ-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.19
Rot. Bonds1

About 1-(1,2,3,4-tetrahydropyrazino[1,2-a]indol-7-yl)-1,3-diazinane-2,4-dione

1-(1,2,3,4-tetrahydropyrazino[1,2-a]indol-7-yl)-1,3-diazinane-2,4-dione (PubChem CID 169002972) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 1-(1,2,3,4-tetrahydropyrazino[1,2-a]indol-7-yl)-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-(1,2,3,4-tetrahydropyrazino[1,2-a]indol-7-yl)-1,3-diazinane-2,4-dione
PubChem CID169002972
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name1-(1,2,3,4-tetrahydropyrazino[1,2-a]indol-7-yl)-1,3-diazinane-2,4-dione
SMILESO=C1CCN(c2ccc3cc4n(c3c2)CCNC4)C(=O)N1
InChIInChI=1S/C15H16N4O2/c20-14-3-5-19(15(21)17-14)11-2-1-10-7-12-9-16-4-6-18(12)13(10)8-11/h1-2,7-8,16H,3-6,9H2,(H,17,20,21)
InChIKeyBBVXSGWTTDUHQQ-UHFFFAOYSA-N
XLogP1.19
TPSA66.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2,3,4-tetrahydropyrazino[1,2-a]indol-7-yl)-1,3-diazinane-2,4-dione?
The IUPAC name of 1-(1,2,3,4-tetrahydropyrazino[1,2-a]indol-7-yl)-1,3-diazinane-2,4-dione (CID 169002972) is 1-(1,2,3,4-tetrahydropyrazino[1,2-a]indol-7-yl)-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-(1,2,3,4-tetrahydropyrazino[1,2-a]indol-7-yl)-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-(1,2,3,4-tetrahydropyrazino[1,2-a]indol-7-yl)-1,3-diazinane-2,4-dione is O=C1CCN(c2ccc3cc4n(c3c2)CCNC4)C(=O)N1.
What is the InChIKey of 1-(1,2,3,4-tetrahydropyrazino[1,2-a]indol-7-yl)-1,3-diazinane-2,4-dione?
The InChIKey is BBVXSGWTTDUHQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c20-14-3-5-19(15(21)17-14)11-2-1-10-7-12-9-16-4-6-18(12)13(10)8-11/h1-2,7-8,16H,3-6,9H2,(H,17,20,21).
What are the key properties of 1-(1,2,3,4-tetrahydropyrazino[1,2-a]indol-7-yl)-1,3-diazinane-2,4-dione?
1-(1,2,3,4-tetrahydropyrazino[1,2-a]indol-7-yl)-1,3-diazinane-2,4-dione has a molecular weight of 284.32 g/mol, XLogP of 1.19, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,3,4-tetrahydropyrazino[1,2-a]indol-7-yl)-1,3-diazinane-2,4-dione is sourced from PubChem (CID 169002972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).