N-(2-methoxyethyl)-1H-1,2,4-triazol-5-amine

C5H10N4O — CID 4661897

IUPACN-(2-methoxyethyl)-1H-1,2,4-triazol-5-amine
SMILESCOCCNc1ncn[nH]1
InChIInChI=1S/C5H10N4O/c1-10-3-2-6-5-7-4-8-9-5/h4H,2-3H2,1H3,(H2,6,7,8,9)
InChIKeyFPSAWGKPXTYHBM-UHFFFAOYSA-N
MW142.16 g/mol
LogP-0.14
Rot. Bonds4

About N-(2-methoxyethyl)-1H-1,2,4-triazol-5-amine

N-(2-methoxyethyl)-1H-1,2,4-triazol-5-amine (PubChem CID 4661897) has the molecular formula C5H10N4O and a molecular weight of 142.16 g/mol. Its IUPAC name is N-(2-methoxyethyl)-1H-1,2,4-triazol-5-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-1H-1,2,4-triazol-5-amine
PubChem CID4661897
Molecular FormulaC5H10N4O
Molecular Weight142.16 g/mol
Exact Mass142.09
IUPAC NameN-(2-methoxyethyl)-1H-1,2,4-triazol-5-amine
SMILESCOCCNc1ncn[nH]1
InChIInChI=1S/C5H10N4O/c1-10-3-2-6-5-7-4-8-9-5/h4H,2-3H2,1H3,(H2,6,7,8,9)
InChIKeyFPSAWGKPXTYHBM-UHFFFAOYSA-N
XLogP-0.14
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-1H-1,2,4-triazol-5-amine?
The IUPAC name of N-(2-methoxyethyl)-1H-1,2,4-triazol-5-amine (CID 4661897) is N-(2-methoxyethyl)-1H-1,2,4-triazol-5-amine.
What is the SMILES notation for N-(2-methoxyethyl)-1H-1,2,4-triazol-5-amine?
The canonical SMILES for N-(2-methoxyethyl)-1H-1,2,4-triazol-5-amine is COCCNc1ncn[nH]1.
What is the InChIKey of N-(2-methoxyethyl)-1H-1,2,4-triazol-5-amine?
The InChIKey is FPSAWGKPXTYHBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4O/c1-10-3-2-6-5-7-4-8-9-5/h4H,2-3H2,1H3,(H2,6,7,8,9).
What are the key properties of N-(2-methoxyethyl)-1H-1,2,4-triazol-5-amine?
N-(2-methoxyethyl)-1H-1,2,4-triazol-5-amine has a molecular weight of 142.16 g/mol, XLogP of -0.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-1H-1,2,4-triazol-5-amine is sourced from PubChem (CID 4661897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).