(5-amino-1H-1,2,4-triazol-3-yl) ethyl carbonate

C5H8N4O3 — CID 67146323

IUPAC(5-amino-1H-1,2,4-triazol-3-yl) ethyl carbonate
SMILESCCOC(=O)Oc1n[nH]c(N)n1
InChIInChI=1S/C5H8N4O3/c1-2-11-5(10)12-4-7-3(6)8-9-4/h2H2,1H3,(H3,6,7,8,9)
InChIKeyZCLUPDRMHKEVKK-UHFFFAOYSA-N
MW172.14 g/mol
LogP-0.08
Rot. Bonds2

About (5-amino-1H-1,2,4-triazol-3-yl) ethyl carbonate

(5-amino-1H-1,2,4-triazol-3-yl) ethyl carbonate (PubChem CID 67146323) has the molecular formula C5H8N4O3 and a molecular weight of 172.14 g/mol. Its IUPAC name is (5-amino-1H-1,2,4-triazol-3-yl) ethyl carbonate.

Molecular Properties

Compound Name(5-amino-1H-1,2,4-triazol-3-yl) ethyl carbonate
PubChem CID67146323
Molecular FormulaC5H8N4O3
Molecular Weight172.14 g/mol
Exact Mass172.06
IUPAC Name(5-amino-1H-1,2,4-triazol-3-yl) ethyl carbonate
SMILESCCOC(=O)Oc1n[nH]c(N)n1
InChIInChI=1S/C5H8N4O3/c1-2-11-5(10)12-4-7-3(6)8-9-4/h2H2,1H3,(H3,6,7,8,9)
InChIKeyZCLUPDRMHKEVKK-UHFFFAOYSA-N
XLogP-0.08
TPSA103.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.14
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5-amino-1H-1,2,4-triazol-3-yl) ethyl carbonate?
The IUPAC name of (5-amino-1H-1,2,4-triazol-3-yl) ethyl carbonate (CID 67146323) is (5-amino-1H-1,2,4-triazol-3-yl) ethyl carbonate.
What is the SMILES notation for (5-amino-1H-1,2,4-triazol-3-yl) ethyl carbonate?
The canonical SMILES for (5-amino-1H-1,2,4-triazol-3-yl) ethyl carbonate is CCOC(=O)Oc1n[nH]c(N)n1.
What is the InChIKey of (5-amino-1H-1,2,4-triazol-3-yl) ethyl carbonate?
The InChIKey is ZCLUPDRMHKEVKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O3/c1-2-11-5(10)12-4-7-3(6)8-9-4/h2H2,1H3,(H3,6,7,8,9).
What are the key properties of (5-amino-1H-1,2,4-triazol-3-yl) ethyl carbonate?
(5-amino-1H-1,2,4-triazol-3-yl) ethyl carbonate has a molecular weight of 172.14 g/mol, XLogP of -0.08, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-1H-1,2,4-triazol-3-yl) ethyl carbonate is sourced from PubChem (CID 67146323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).