4-amino-2-hydroxy-2,5-dihydro-1H-1,3,5-triazin-6-one

C3H6N4O2 — CID 122691685

IUPAC4-amino-2-hydroxy-2,5-dihydro-1H-1,3,5-triazin-6-one
SMILESNC1=NC(O)NC(=O)N1
InChIInChI=1S/C3H6N4O2/c4-1-5-2(8)7-3(9)6-1/h2,8H,(H4,4,5,6,7,9)
InChIKeyMTVGISLWTIDTOW-UHFFFAOYSA-N
MW130.11 g/mol
LogP-2.11
Rot. Bonds

About 4-amino-2-hydroxy-2,5-dihydro-1H-1,3,5-triazin-6-one

4-amino-2-hydroxy-2,5-dihydro-1H-1,3,5-triazin-6-one (PubChem CID 122691685) has the molecular formula C3H6N4O2 and a molecular weight of 130.11 g/mol. Its IUPAC name is 4-amino-2-hydroxy-2,5-dihydro-1H-1,3,5-triazin-6-one.

Molecular Properties

Compound Name4-amino-2-hydroxy-2,5-dihydro-1H-1,3,5-triazin-6-one
PubChem CID122691685
Molecular FormulaC3H6N4O2
Molecular Weight130.11 g/mol
Exact Mass130.05
IUPAC Name4-amino-2-hydroxy-2,5-dihydro-1H-1,3,5-triazin-6-one
SMILESNC1=NC(O)NC(=O)N1
InChIInChI=1S/C3H6N4O2/c4-1-5-2(8)7-3(9)6-1/h2,8H,(H4,4,5,6,7,9)
InChIKeyMTVGISLWTIDTOW-UHFFFAOYSA-N
XLogP-2.11
TPSA99.74 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.11
LogP ≤ 5-2.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-hydroxy-2,5-dihydro-1H-1,3,5-triazin-6-one?
The IUPAC name of 4-amino-2-hydroxy-2,5-dihydro-1H-1,3,5-triazin-6-one (CID 122691685) is 4-amino-2-hydroxy-2,5-dihydro-1H-1,3,5-triazin-6-one.
What is the SMILES notation for 4-amino-2-hydroxy-2,5-dihydro-1H-1,3,5-triazin-6-one?
The canonical SMILES for 4-amino-2-hydroxy-2,5-dihydro-1H-1,3,5-triazin-6-one is NC1=NC(O)NC(=O)N1.
What is the InChIKey of 4-amino-2-hydroxy-2,5-dihydro-1H-1,3,5-triazin-6-one?
The InChIKey is MTVGISLWTIDTOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N4O2/c4-1-5-2(8)7-3(9)6-1/h2,8H,(H4,4,5,6,7,9).
What are the key properties of 4-amino-2-hydroxy-2,5-dihydro-1H-1,3,5-triazin-6-one?
4-amino-2-hydroxy-2,5-dihydro-1H-1,3,5-triazin-6-one has a molecular weight of 130.11 g/mol, XLogP of -2.11, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-hydroxy-2,5-dihydro-1H-1,3,5-triazin-6-one is sourced from PubChem (CID 122691685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).