6-[(3-hydroxycyclopentyl)methylamino]-2H-1,2,4-triazine-3,5-dione

C9H14N4O3 — CID 103269717

IUPAC6-[(3-hydroxycyclopentyl)methylamino]-2H-1,2,4-triazine-3,5-dione
SMILESO=c1[nH]nc(NCC2CCC(O)C2)c(=O)[nH]1
InChIInChI=1S/C9H14N4O3/c14-6-2-1-5(3-6)4-10-7-8(15)11-9(16)13-12-7/h5-6,14H,1-4H2,(H,10,12)(H2,11,13,15,16)
InChIKeyDMAMCOBKJPAPRH-UHFFFAOYSA-N
MW226.24 g/mol
LogP-0.97
Rot. Bonds3

About 6-[(3-hydroxycyclopentyl)methylamino]-2H-1,2,4-triazine-3,5-dione

6-[(3-hydroxycyclopentyl)methylamino]-2H-1,2,4-triazine-3,5-dione (PubChem CID 103269717) has the molecular formula C9H14N4O3 and a molecular weight of 226.24 g/mol. Its IUPAC name is 6-[(3-hydroxycyclopentyl)methylamino]-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[(3-hydroxycyclopentyl)methylamino]-2H-1,2,4-triazine-3,5-dione
PubChem CID103269717
Molecular FormulaC9H14N4O3
Molecular Weight226.24 g/mol
Exact Mass226.11
IUPAC Name6-[(3-hydroxycyclopentyl)methylamino]-2H-1,2,4-triazine-3,5-dione
SMILESO=c1[nH]nc(NCC2CCC(O)C2)c(=O)[nH]1
InChIInChI=1S/C9H14N4O3/c14-6-2-1-5(3-6)4-10-7-8(15)11-9(16)13-12-7/h5-6,14H,1-4H2,(H,10,12)(H2,11,13,15,16)
InChIKeyDMAMCOBKJPAPRH-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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Related Compounds

6-[(2-hydroxycyclopentyl)methylamino]-2H-1,2,4-triazine-3,5-dione
CID 65836135
6-[[2-(hydroxymethyl)cyclopentyl]methylamino]-2H-1,2,4-triazine-3,5-dione
CID 65925677
6-[(3-hydroxycyclobutyl)methylamino]-2H-1,2,4-triazine-3,5-dione
CID 66004840
6-[(2-ethyl-4-hydroxybutyl)amino]-2H-1,2,4-triazine-3,5-dione
CID 80296871
6-[(3-Hydroxycyclopentyl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 103269865
6-[[2-(hydroxymethyl)cyclopentyl]amino]-2H-1,2,4-triazine-3,5-dione
CID 103703715
6-[(5-hydroxy-4-methylpentyl)amino]-2H-1,2,4-triazine-3,5-dione
CID 103858533
6-[(4-hydroxycyclohexyl)methylamino]-2H-1,2,4-triazine-3,5-dione
CID 106130755
6-(5-hydroxypentylamino)-2H-1,2,4-triazine-3,5-dione
CID 107302476
6-[(3-hydroxycyclohexyl)methylamino]-2H-1,2,4-triazine-3,5-dione
CID 113243896
6-[2-(2-hydroxyethyl)pentylamino]-2H-1,2,4-triazine-3,5-dione
CID 113244301
6-[[1-(hydroxymethyl)cyclopentyl]methylamino]-2H-1,2,4-triazine-3,5-dione
CID 113294055

Frequently Asked Questions

What is the IUPAC name of 6-[(3-hydroxycyclopentyl)methylamino]-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[(3-hydroxycyclopentyl)methylamino]-2H-1,2,4-triazine-3,5-dione (CID 103269717) is 6-[(3-hydroxycyclopentyl)methylamino]-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[(3-hydroxycyclopentyl)methylamino]-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[(3-hydroxycyclopentyl)methylamino]-2H-1,2,4-triazine-3,5-dione is O=c1[nH]nc(NCC2CCC(O)C2)c(=O)[nH]1.
What is the InChIKey of 6-[(3-hydroxycyclopentyl)methylamino]-2H-1,2,4-triazine-3,5-dione?
The InChIKey is DMAMCOBKJPAPRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O3/c14-6-2-1-5(3-6)4-10-7-8(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-[(3-hydroxycyclopentyl)methylamino]-2H-1,2,4-triazine-3,5-dione?
6-[(3-hydroxycyclopentyl)methylamino]-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-[(3-hydroxycyclopentyl)methylamino]-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 103269717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).