6-[[2-(hydroxymethyl)cyclopentyl]amino]-2H-1,2,4-triazine-3,5-dione

C9H14N4O3 — CID 103703715

IUPAC6-[[2-(hydroxymethyl)cyclopentyl]amino]-2H-1,2,4-triazine-3,5-dione
SMILESO=c1[nH]nc(NC2CCCC2CO)c(=O)[nH]1
InChIInChI=1S/C9H14N4O3/c14-4-5-2-1-3-6(5)10-7-8(15)11-9(16)13-12-7/h5-6,14H,1-4H2,(H,10,12)(H2,11,13,15,16)
InChIKeyXRCZAKJLXANSMK-UHFFFAOYSA-N
MW226.24 g/mol
LogP-0.97
Rot. Bonds3

About 6-[[2-(hydroxymethyl)cyclopentyl]amino]-2H-1,2,4-triazine-3,5-dione

6-[[2-(hydroxymethyl)cyclopentyl]amino]-2H-1,2,4-triazine-3,5-dione (PubChem CID 103703715) has the molecular formula C9H14N4O3 and a molecular weight of 226.24 g/mol. Its IUPAC name is 6-[[2-(hydroxymethyl)cyclopentyl]amino]-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[[2-(hydroxymethyl)cyclopentyl]amino]-2H-1,2,4-triazine-3,5-dione
PubChem CID103703715
Molecular FormulaC9H14N4O3
Molecular Weight226.24 g/mol
Exact Mass226.11
IUPAC Name6-[[2-(hydroxymethyl)cyclopentyl]amino]-2H-1,2,4-triazine-3,5-dione
SMILESO=c1[nH]nc(NC2CCCC2CO)c(=O)[nH]1
InChIInChI=1S/C9H14N4O3/c14-4-5-2-1-3-6(5)10-7-8(15)11-9(16)13-12-7/h5-6,14H,1-4H2,(H,10,12)(H2,11,13,15,16)
InChIKeyXRCZAKJLXANSMK-UHFFFAOYSA-N
XLogP-0.97
TPSA110.87 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 5-0.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[[2-(hydroxymethyl)cyclopentyl]amino]-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[[2-(hydroxymethyl)cyclopentyl]amino]-2H-1,2,4-triazine-3,5-dione (CID 103703715) is 6-[[2-(hydroxymethyl)cyclopentyl]amino]-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[[2-(hydroxymethyl)cyclopentyl]amino]-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[[2-(hydroxymethyl)cyclopentyl]amino]-2H-1,2,4-triazine-3,5-dione is O=c1[nH]nc(NC2CCCC2CO)c(=O)[nH]1.
What is the InChIKey of 6-[[2-(hydroxymethyl)cyclopentyl]amino]-2H-1,2,4-triazine-3,5-dione?
The InChIKey is XRCZAKJLXANSMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O3/c14-4-5-2-1-3-6(5)10-7-8(15)11-9(16)13-12-7/h5-6,14H,1-4H2,(H,10,12)(H2,11,13,15,16).
What are the key properties of 6-[[2-(hydroxymethyl)cyclopentyl]amino]-2H-1,2,4-triazine-3,5-dione?
6-[[2-(hydroxymethyl)cyclopentyl]amino]-2H-1,2,4-triazine-3,5-dione has a molecular weight of 226.24 g/mol, XLogP of -0.97, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(hydroxymethyl)cyclopentyl]amino]-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 103703715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).