5-amino-2H-1,2,4-triazin-3-one;pyrimidine

C7H8N6O — CID 160846555

IUPAC5-amino-2H-1,2,4-triazin-3-one;pyrimidine
SMILESNc1cn[nH]c(=O)n1.c1cncnc1
InChIInChI=1S/C4H4N2.C3H4N4O/c1-2-5-4-6-3-1;4-2-1-5-7-3(8)6-2/h1-4H;1H,(H3,4,6,7,8)
InChIKeySISFZHWPPIVDPL-UHFFFAOYSA-N
MW192.18 g/mol
LogP-0.78
Rot. Bonds

About 5-amino-2H-1,2,4-triazin-3-one;pyrimidine

5-amino-2H-1,2,4-triazin-3-one;pyrimidine (PubChem CID 160846555) has the molecular formula C7H8N6O and a molecular weight of 192.18 g/mol. Its IUPAC name is 5-amino-2H-1,2,4-triazin-3-one;pyrimidine.

Molecular Properties

Compound Name5-amino-2H-1,2,4-triazin-3-one;pyrimidine
PubChem CID160846555
Molecular FormulaC7H8N6O
Molecular Weight192.18 g/mol
Exact Mass192.08
IUPAC Name5-amino-2H-1,2,4-triazin-3-one;pyrimidine
SMILESNc1cn[nH]c(=O)n1.c1cncnc1
InChIInChI=1S/C4H4N2.C3H4N4O/c1-2-5-4-6-3-1;4-2-1-5-7-3(8)6-2/h1-4H;1H,(H3,4,6,7,8)
InChIKeySISFZHWPPIVDPL-UHFFFAOYSA-N
XLogP-0.78
TPSA110.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 5-0.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2H-1,2,4-triazin-3-one;pyrimidine?
The IUPAC name of 5-amino-2H-1,2,4-triazin-3-one;pyrimidine (CID 160846555) is 5-amino-2H-1,2,4-triazin-3-one;pyrimidine.
What is the SMILES notation for 5-amino-2H-1,2,4-triazin-3-one;pyrimidine?
The canonical SMILES for 5-amino-2H-1,2,4-triazin-3-one;pyrimidine is Nc1cn[nH]c(=O)n1.c1cncnc1.
What is the InChIKey of 5-amino-2H-1,2,4-triazin-3-one;pyrimidine?
The InChIKey is SISFZHWPPIVDPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2.C3H4N4O/c1-2-5-4-6-3-1;4-2-1-5-7-3(8)6-2/h1-4H;1H,(H3,4,6,7,8).
What are the key properties of 5-amino-2H-1,2,4-triazin-3-one;pyrimidine?
5-amino-2H-1,2,4-triazin-3-one;pyrimidine has a molecular weight of 192.18 g/mol, XLogP of -0.78, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2H-1,2,4-triazin-3-one;pyrimidine is sourced from PubChem (CID 160846555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).