6-(2,3-dihydroxypropylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione

C8H14N4O4 — CID 66177760

IUPAC6-(2,3-dihydroxypropylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCn1nc(NCC(O)CO)c(=O)n(C)c1=O
InChIInChI=1S/C8H14N4O4/c1-11-7(15)6(9-3-5(14)4-13)10-12(2)8(11)16/h5,13-14H,3-4H2,1-2H3,(H,9,10)
InChIKeyQRVRKJQIHVXWBQ-UHFFFAOYSA-N
MW230.22 g/mol
LogP-2.76
Rot. Bonds4

About 6-(2,3-dihydroxypropylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione

6-(2,3-dihydroxypropylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione (PubChem CID 66177760) has the molecular formula C8H14N4O4 and a molecular weight of 230.22 g/mol. Its IUPAC name is 6-(2,3-dihydroxypropylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-(2,3-dihydroxypropylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione
PubChem CID66177760
Molecular FormulaC8H14N4O4
Molecular Weight230.22 g/mol
Exact Mass230.10
IUPAC Name6-(2,3-dihydroxypropylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCn1nc(NCC(O)CO)c(=O)n(C)c1=O
InChIInChI=1S/C8H14N4O4/c1-11-7(15)6(9-3-5(14)4-13)10-12(2)8(11)16/h5,13-14H,3-4H2,1-2H3,(H,9,10)
InChIKeyQRVRKJQIHVXWBQ-UHFFFAOYSA-N
XLogP-2.76
TPSA109.38 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 5-2.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dihydroxypropylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-(2,3-dihydroxypropylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione (CID 66177760) is 6-(2,3-dihydroxypropylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-(2,3-dihydroxypropylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-(2,3-dihydroxypropylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione is Cn1nc(NCC(O)CO)c(=O)n(C)c1=O.
What is the InChIKey of 6-(2,3-dihydroxypropylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The InChIKey is QRVRKJQIHVXWBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O4/c1-11-7(15)6(9-3-5(14)4-13)10-12(2)8(11)16/h5,13-14H,3-4H2,1-2H3,(H,9,10).
What are the key properties of 6-(2,3-dihydroxypropylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione?
6-(2,3-dihydroxypropylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione has a molecular weight of 230.22 g/mol, XLogP of -2.76, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dihydroxypropylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 66177760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).