[3-(1-ethoxyethyl)-1H-1,2,4-triazol-5-yl]methanamine

C7H14N4O — CID 64534438

IUPAC[3-(1-ethoxyethyl)-1H-1,2,4-triazol-5-yl]methanamine
SMILESCCOC(C)c1n[nH]c(CN)n1
InChIInChI=1S/C7H14N4O/c1-3-12-5(2)7-9-6(4-8)10-11-7/h5H,3-4,8H2,1-2H3,(H,9,10,11)
InChIKeyPTCSKDBEJOVVKI-UHFFFAOYSA-N
MW170.22 g/mol
LogP0.36
Rot. Bonds4

About [3-(1-ethoxyethyl)-1H-1,2,4-triazol-5-yl]methanamine

[3-(1-ethoxyethyl)-1H-1,2,4-triazol-5-yl]methanamine (PubChem CID 64534438) has the molecular formula C7H14N4O and a molecular weight of 170.22 g/mol. Its IUPAC name is [3-(1-ethoxyethyl)-1H-1,2,4-triazol-5-yl]methanamine.

Molecular Properties

Compound Name[3-(1-ethoxyethyl)-1H-1,2,4-triazol-5-yl]methanamine
PubChem CID64534438
Molecular FormulaC7H14N4O
Molecular Weight170.22 g/mol
Exact Mass170.12
IUPAC Name[3-(1-ethoxyethyl)-1H-1,2,4-triazol-5-yl]methanamine
SMILESCCOC(C)c1n[nH]c(CN)n1
InChIInChI=1S/C7H14N4O/c1-3-12-5(2)7-9-6(4-8)10-11-7/h5H,3-4,8H2,1-2H3,(H,9,10,11)
InChIKeyPTCSKDBEJOVVKI-UHFFFAOYSA-N
XLogP0.36
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.22
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(1-ethoxyethyl)-1H-1,2,4-triazol-5-yl]methanamine?
The IUPAC name of [3-(1-ethoxyethyl)-1H-1,2,4-triazol-5-yl]methanamine (CID 64534438) is [3-(1-ethoxyethyl)-1H-1,2,4-triazol-5-yl]methanamine.
What is the SMILES notation for [3-(1-ethoxyethyl)-1H-1,2,4-triazol-5-yl]methanamine?
The canonical SMILES for [3-(1-ethoxyethyl)-1H-1,2,4-triazol-5-yl]methanamine is CCOC(C)c1n[nH]c(CN)n1.
What is the InChIKey of [3-(1-ethoxyethyl)-1H-1,2,4-triazol-5-yl]methanamine?
The InChIKey is PTCSKDBEJOVVKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4O/c1-3-12-5(2)7-9-6(4-8)10-11-7/h5H,3-4,8H2,1-2H3,(H,9,10,11).
What are the key properties of [3-(1-ethoxyethyl)-1H-1,2,4-triazol-5-yl]methanamine?
[3-(1-ethoxyethyl)-1H-1,2,4-triazol-5-yl]methanamine has a molecular weight of 170.22 g/mol, XLogP of 0.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-ethoxyethyl)-1H-1,2,4-triazol-5-yl]methanamine is sourced from PubChem (CID 64534438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).