6-(1-aminoethyl)-3-methyl-4H-1,2,4-triazin-5-one

C6H10N4O — CID 137158008

IUPAC6-(1-aminoethyl)-3-methyl-4H-1,2,4-triazin-5-one
SMILESCc1nnc(C(C)N)c(=O)[nH]1
InChIInChI=1S/C6H10N4O/c1-3(7)5-6(11)8-4(2)9-10-5/h3H,7H2,1-2H3,(H,8,9,11)
InChIKeyCOUSYCXDUDVHBV-UHFFFAOYSA-N
MW154.17 g/mol
LogP-0.51
Rot. Bonds1

About 6-(1-aminoethyl)-3-methyl-4H-1,2,4-triazin-5-one

6-(1-aminoethyl)-3-methyl-4H-1,2,4-triazin-5-one (PubChem CID 137158008) has the molecular formula C6H10N4O and a molecular weight of 154.17 g/mol. Its IUPAC name is 6-(1-aminoethyl)-3-methyl-4H-1,2,4-triazin-5-one.

Molecular Properties

Compound Name6-(1-aminoethyl)-3-methyl-4H-1,2,4-triazin-5-one
PubChem CID137158008
Molecular FormulaC6H10N4O
Molecular Weight154.17 g/mol
Exact Mass154.09
IUPAC Name6-(1-aminoethyl)-3-methyl-4H-1,2,4-triazin-5-one
SMILESCc1nnc(C(C)N)c(=O)[nH]1
InChIInChI=1S/C6H10N4O/c1-3(7)5-6(11)8-4(2)9-10-5/h3H,7H2,1-2H3,(H,8,9,11)
InChIKeyCOUSYCXDUDVHBV-UHFFFAOYSA-N
XLogP-0.51
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(1-aminoethyl)-3-methyl-4H-1,2,4-triazin-5-one?
The IUPAC name of 6-(1-aminoethyl)-3-methyl-4H-1,2,4-triazin-5-one (CID 137158008) is 6-(1-aminoethyl)-3-methyl-4H-1,2,4-triazin-5-one.
What is the SMILES notation for 6-(1-aminoethyl)-3-methyl-4H-1,2,4-triazin-5-one?
The canonical SMILES for 6-(1-aminoethyl)-3-methyl-4H-1,2,4-triazin-5-one is Cc1nnc(C(C)N)c(=O)[nH]1.
What is the InChIKey of 6-(1-aminoethyl)-3-methyl-4H-1,2,4-triazin-5-one?
The InChIKey is COUSYCXDUDVHBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O/c1-3(7)5-6(11)8-4(2)9-10-5/h3H,7H2,1-2H3,(H,8,9,11).
What are the key properties of 6-(1-aminoethyl)-3-methyl-4H-1,2,4-triazin-5-one?
6-(1-aminoethyl)-3-methyl-4H-1,2,4-triazin-5-one has a molecular weight of 154.17 g/mol, XLogP of -0.51, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-aminoethyl)-3-methyl-4H-1,2,4-triazin-5-one is sourced from PubChem (CID 137158008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).