5-(aminomethyl)-2,4-dimethyl-1,2,4-triazol-3-one

C5H10N4O — CID 55284100

IUPAC5-(aminomethyl)-2,4-dimethyl-1,2,4-triazol-3-one
SMILESCn1nc(CN)n(C)c1=O
InChIInChI=1S/C5H10N4O/c1-8-4(3-6)7-9(2)5(8)10/h3,6H2,1-2H3
InChIKeyPNFXOKOOZZBNAI-UHFFFAOYSA-N
MW142.16 g/mol
LogP-1.42
Rot. Bonds1

About 5-(aminomethyl)-2,4-dimethyl-1,2,4-triazol-3-one

5-(aminomethyl)-2,4-dimethyl-1,2,4-triazol-3-one (PubChem CID 55284100) has the molecular formula C5H10N4O and a molecular weight of 142.16 g/mol. Its IUPAC name is 5-(aminomethyl)-2,4-dimethyl-1,2,4-triazol-3-one.

Molecular Properties

Compound Name5-(aminomethyl)-2,4-dimethyl-1,2,4-triazol-3-one
PubChem CID55284100
Molecular FormulaC5H10N4O
Molecular Weight142.16 g/mol
Exact Mass142.09
IUPAC Name5-(aminomethyl)-2,4-dimethyl-1,2,4-triazol-3-one
SMILESCn1nc(CN)n(C)c1=O
InChIInChI=1S/C5H10N4O/c1-8-4(3-6)7-9(2)5(8)10/h3,6H2,1-2H3
InChIKeyPNFXOKOOZZBNAI-UHFFFAOYSA-N
XLogP-1.42
TPSA65.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 5-1.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2,4-dimethyl-1,2,4-triazol-3-one?
The IUPAC name of 5-(aminomethyl)-2,4-dimethyl-1,2,4-triazol-3-one (CID 55284100) is 5-(aminomethyl)-2,4-dimethyl-1,2,4-triazol-3-one.
What is the SMILES notation for 5-(aminomethyl)-2,4-dimethyl-1,2,4-triazol-3-one?
The canonical SMILES for 5-(aminomethyl)-2,4-dimethyl-1,2,4-triazol-3-one is Cn1nc(CN)n(C)c1=O.
What is the InChIKey of 5-(aminomethyl)-2,4-dimethyl-1,2,4-triazol-3-one?
The InChIKey is PNFXOKOOZZBNAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4O/c1-8-4(3-6)7-9(2)5(8)10/h3,6H2,1-2H3.
What are the key properties of 5-(aminomethyl)-2,4-dimethyl-1,2,4-triazol-3-one?
5-(aminomethyl)-2,4-dimethyl-1,2,4-triazol-3-one has a molecular weight of 142.16 g/mol, XLogP of -1.42, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2,4-dimethyl-1,2,4-triazol-3-one is sourced from PubChem (CID 55284100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).