6-(aminomethyl)-3-ethyl-4H-1,2,4-triazin-5-one

C6H10N4O — CID 137148461

IUPAC6-(aminomethyl)-3-ethyl-4H-1,2,4-triazin-5-one
SMILESCCc1nnc(CN)c(=O)[nH]1
InChIInChI=1S/C6H10N4O/c1-2-5-8-6(11)4(3-7)9-10-5/h2-3,7H2,1H3,(H,8,10,11)
InChIKeyVEKVFCRLHNXCTB-UHFFFAOYSA-N
MW154.17 g/mol
LogP-0.81
Rot. Bonds2

About 6-(aminomethyl)-3-ethyl-4H-1,2,4-triazin-5-one

6-(aminomethyl)-3-ethyl-4H-1,2,4-triazin-5-one (PubChem CID 137148461) has the molecular formula C6H10N4O and a molecular weight of 154.17 g/mol. Its IUPAC name is 6-(aminomethyl)-3-ethyl-4H-1,2,4-triazin-5-one.

Molecular Properties

Compound Name6-(aminomethyl)-3-ethyl-4H-1,2,4-triazin-5-one
PubChem CID137148461
Molecular FormulaC6H10N4O
Molecular Weight154.17 g/mol
Exact Mass154.09
IUPAC Name6-(aminomethyl)-3-ethyl-4H-1,2,4-triazin-5-one
SMILESCCc1nnc(CN)c(=O)[nH]1
InChIInChI=1S/C6H10N4O/c1-2-5-8-6(11)4(3-7)9-10-5/h2-3,7H2,1H3,(H,8,10,11)
InChIKeyVEKVFCRLHNXCTB-UHFFFAOYSA-N
XLogP-0.81
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 5-0.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-3-ethyl-4H-1,2,4-triazin-5-one?
The IUPAC name of 6-(aminomethyl)-3-ethyl-4H-1,2,4-triazin-5-one (CID 137148461) is 6-(aminomethyl)-3-ethyl-4H-1,2,4-triazin-5-one.
What is the SMILES notation for 6-(aminomethyl)-3-ethyl-4H-1,2,4-triazin-5-one?
The canonical SMILES for 6-(aminomethyl)-3-ethyl-4H-1,2,4-triazin-5-one is CCc1nnc(CN)c(=O)[nH]1.
What is the InChIKey of 6-(aminomethyl)-3-ethyl-4H-1,2,4-triazin-5-one?
The InChIKey is VEKVFCRLHNXCTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O/c1-2-5-8-6(11)4(3-7)9-10-5/h2-3,7H2,1H3,(H,8,10,11).
What are the key properties of 6-(aminomethyl)-3-ethyl-4H-1,2,4-triazin-5-one?
6-(aminomethyl)-3-ethyl-4H-1,2,4-triazin-5-one has a molecular weight of 154.17 g/mol, XLogP of -0.81, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-3-ethyl-4H-1,2,4-triazin-5-one is sourced from PubChem (CID 137148461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).