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

C11H18N4O3 — CID 61221863

IUPAC6-[(1-hydroxycyclopentyl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCn1nc(NCC2(O)CCCC2)c(=O)n(C)c1=O
InChIInChI=1S/C11H18N4O3/c1-14-9(16)8(13-15(2)10(14)17)12-7-11(18)5-3-4-6-11/h18H,3-7H2,1-2H3,(H,12,13)
InChIKeyDTZKTYBUYRZFRY-UHFFFAOYSA-N
MW254.29 g/mol
LogP-0.80
Rot. Bonds3

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

6-[(1-hydroxycyclopentyl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione (PubChem CID 61221863) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is 6-[(1-hydroxycyclopentyl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[(1-hydroxycyclopentyl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
PubChem CID61221863
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC Name6-[(1-hydroxycyclopentyl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCn1nc(NCC2(O)CCCC2)c(=O)n(C)c1=O
InChIInChI=1S/C11H18N4O3/c1-14-9(16)8(13-15(2)10(14)17)12-7-11(18)5-3-4-6-11/h18H,3-7H2,1-2H3,(H,12,13)
InChIKeyDTZKTYBUYRZFRY-UHFFFAOYSA-N
XLogP-0.80
TPSA89.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 5-0.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[(1-hydroxycyclopentyl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[(1-hydroxycyclopentyl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione (CID 61221863) is 6-[(1-hydroxycyclopentyl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[(1-hydroxycyclopentyl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[(1-hydroxycyclopentyl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione is Cn1nc(NCC2(O)CCCC2)c(=O)n(C)c1=O.
What is the InChIKey of 6-[(1-hydroxycyclopentyl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The InChIKey is DTZKTYBUYRZFRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-14-9(16)8(13-15(2)10(14)17)12-7-11(18)5-3-4-6-11/h18H,3-7H2,1-2H3,(H,12,13).
What are the key properties of 6-[(1-hydroxycyclopentyl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
6-[(1-hydroxycyclopentyl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione has a molecular weight of 254.29 g/mol, XLogP of -0.80, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-hydroxycyclopentyl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 61221863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).