(5-methyloxolan-2-yl)methyl 2-(3-amino-1,2,4-triazol-1-yl)acetate

C10H16N4O3 — CID 103137014

IUPAC(5-methyloxolan-2-yl)methyl 2-(3-amino-1,2,4-triazol-1-yl)acetate
SMILESCC1CCC(COC(=O)Cn2cnc(N)n2)O1
InChIInChI=1S/C10H16N4O3/c1-7-2-3-8(17-7)5-16-9(15)4-14-6-12-10(11)13-14/h6-8H,2-5H2,1H3,(H2,11,13)
InChIKeyHWPQJSDNUGJMCC-UHFFFAOYSA-N
MW240.26 g/mol
LogP-0.03
Rot. Bonds4

About (5-methyloxolan-2-yl)methyl 2-(3-amino-1,2,4-triazol-1-yl)acetate

(5-methyloxolan-2-yl)methyl 2-(3-amino-1,2,4-triazol-1-yl)acetate (PubChem CID 103137014) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is (5-methyloxolan-2-yl)methyl 2-(3-amino-1,2,4-triazol-1-yl)acetate.

Molecular Properties

Compound Name(5-methyloxolan-2-yl)methyl 2-(3-amino-1,2,4-triazol-1-yl)acetate
PubChem CID103137014
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name(5-methyloxolan-2-yl)methyl 2-(3-amino-1,2,4-triazol-1-yl)acetate
SMILESCC1CCC(COC(=O)Cn2cnc(N)n2)O1
InChIInChI=1S/C10H16N4O3/c1-7-2-3-8(17-7)5-16-9(15)4-14-6-12-10(11)13-14/h6-8H,2-5H2,1H3,(H2,11,13)
InChIKeyHWPQJSDNUGJMCC-UHFFFAOYSA-N
XLogP-0.03
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (5-methyloxolan-2-yl)methyl 2-(3-amino-1,2,4-triazol-1-yl)acetate?
The IUPAC name of (5-methyloxolan-2-yl)methyl 2-(3-amino-1,2,4-triazol-1-yl)acetate (CID 103137014) is (5-methyloxolan-2-yl)methyl 2-(3-amino-1,2,4-triazol-1-yl)acetate.
What is the SMILES notation for (5-methyloxolan-2-yl)methyl 2-(3-amino-1,2,4-triazol-1-yl)acetate?
The canonical SMILES for (5-methyloxolan-2-yl)methyl 2-(3-amino-1,2,4-triazol-1-yl)acetate is CC1CCC(COC(=O)Cn2cnc(N)n2)O1.
What is the InChIKey of (5-methyloxolan-2-yl)methyl 2-(3-amino-1,2,4-triazol-1-yl)acetate?
The InChIKey is HWPQJSDNUGJMCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-7-2-3-8(17-7)5-16-9(15)4-14-6-12-10(11)13-14/h6-8H,2-5H2,1H3,(H2,11,13).
What are the key properties of (5-methyloxolan-2-yl)methyl 2-(3-amino-1,2,4-triazol-1-yl)acetate?
(5-methyloxolan-2-yl)methyl 2-(3-amino-1,2,4-triazol-1-yl)acetate has a molecular weight of 240.26 g/mol, XLogP of -0.03, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyloxolan-2-yl)methyl 2-(3-amino-1,2,4-triazol-1-yl)acetate is sourced from PubChem (CID 103137014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).