2-amino-4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-one

C5H10N4O2 — CID 155056505

IUPAC2-amino-4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-one
SMILESCCn1c(CO)nn(N)c1=O
InChIInChI=1S/C5H10N4O2/c1-2-8-4(3-10)7-9(6)5(8)11/h10H,2-3,6H2,1H3
InChIKeyIPXXHNWYNVMNFV-UHFFFAOYSA-N
MW158.16 g/mol
LogP-1.73
Rot. Bonds2

About 2-amino-4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-one

2-amino-4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-one (PubChem CID 155056505) has the molecular formula C5H10N4O2 and a molecular weight of 158.16 g/mol. Its IUPAC name is 2-amino-4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-one.

Molecular Properties

Compound Name2-amino-4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-one
PubChem CID155056505
Molecular FormulaC5H10N4O2
Molecular Weight158.16 g/mol
Exact Mass158.08
IUPAC Name2-amino-4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-one
SMILESCCn1c(CO)nn(N)c1=O
InChIInChI=1S/C5H10N4O2/c1-2-8-4(3-10)7-9(6)5(8)11/h10H,2-3,6H2,1H3
InChIKeyIPXXHNWYNVMNFV-UHFFFAOYSA-N
XLogP-1.73
TPSA86.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.16
LogP ≤ 5-1.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-one?
The IUPAC name of 2-amino-4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-one (CID 155056505) is 2-amino-4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-one.
What is the SMILES notation for 2-amino-4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-one?
The canonical SMILES for 2-amino-4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-one is CCn1c(CO)nn(N)c1=O.
What is the InChIKey of 2-amino-4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-one?
The InChIKey is IPXXHNWYNVMNFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4O2/c1-2-8-4(3-10)7-9(6)5(8)11/h10H,2-3,6H2,1H3.
What are the key properties of 2-amino-4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-one?
2-amino-4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-one has a molecular weight of 158.16 g/mol, XLogP of -1.73, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-one is sourced from PubChem (CID 155056505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).