3-ethoxy-N-propan-2-yl-1H-1,2,4-triazol-5-amine

C7H14N4O — CID 169237444

IUPAC3-ethoxy-N-propan-2-yl-1H-1,2,4-triazol-5-amine
SMILESCCOc1n[nH]c(NC(C)C)n1
InChIInChI=1S/C7H14N4O/c1-4-12-7-9-6(10-11-7)8-5(2)3/h5H,4H2,1-3H3,(H2,8,9,10,11)
InChIKeyIEUWTRJGJDNYDY-UHFFFAOYSA-N
MW170.22 g/mol
LogP1.02
Rot. Bonds4

About 3-ethoxy-N-propan-2-yl-1H-1,2,4-triazol-5-amine

3-ethoxy-N-propan-2-yl-1H-1,2,4-triazol-5-amine (PubChem CID 169237444) has the molecular formula C7H14N4O and a molecular weight of 170.22 g/mol. Its IUPAC name is 3-ethoxy-N-propan-2-yl-1H-1,2,4-triazol-5-amine.

Molecular Properties

Compound Name3-ethoxy-N-propan-2-yl-1H-1,2,4-triazol-5-amine
PubChem CID169237444
Molecular FormulaC7H14N4O
Molecular Weight170.22 g/mol
Exact Mass170.12
IUPAC Name3-ethoxy-N-propan-2-yl-1H-1,2,4-triazol-5-amine
SMILESCCOc1n[nH]c(NC(C)C)n1
InChIInChI=1S/C7H14N4O/c1-4-12-7-9-6(10-11-7)8-5(2)3/h5H,4H2,1-3H3,(H2,8,9,10,11)
InChIKeyIEUWTRJGJDNYDY-UHFFFAOYSA-N
XLogP1.02
TPSA62.83 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 ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-propan-2-yl-1H-1,2,4-triazol-5-amine?
The IUPAC name of 3-ethoxy-N-propan-2-yl-1H-1,2,4-triazol-5-amine (CID 169237444) is 3-ethoxy-N-propan-2-yl-1H-1,2,4-triazol-5-amine.
What is the SMILES notation for 3-ethoxy-N-propan-2-yl-1H-1,2,4-triazol-5-amine?
The canonical SMILES for 3-ethoxy-N-propan-2-yl-1H-1,2,4-triazol-5-amine is CCOc1n[nH]c(NC(C)C)n1.
What is the InChIKey of 3-ethoxy-N-propan-2-yl-1H-1,2,4-triazol-5-amine?
The InChIKey is IEUWTRJGJDNYDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4O/c1-4-12-7-9-6(10-11-7)8-5(2)3/h5H,4H2,1-3H3,(H2,8,9,10,11).
What are the key properties of 3-ethoxy-N-propan-2-yl-1H-1,2,4-triazol-5-amine?
3-ethoxy-N-propan-2-yl-1H-1,2,4-triazol-5-amine has a molecular weight of 170.22 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-propan-2-yl-1H-1,2,4-triazol-5-amine is sourced from PubChem (CID 169237444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).