propan-2-yl 2-[3,5-di(pyrazin-2-yl)-1,2,4-triazol-1-yl]acetate

C15H15N7O2 — CID 43839966

IUPACpropan-2-yl 2-[3,5-di(pyrazin-2-yl)-1,2,4-triazol-1-yl]acetate
SMILESCC(C)OC(=O)Cn1nc(-c2cnccn2)nc1-c1cnccn1
InChIInChI=1S/C15H15N7O2/c1-10(2)24-13(23)9-22-15(12-8-17-4-6-19-12)20-14(21-22)11-7-16-3-5-18-11/h3-8,10H,9H2,1-2H3
InChIKeyQRPFGVLEMPJTCK-UHFFFAOYSA-N
MW325.33 g/mol
LogP1.14
Rot. Bonds5

About propan-2-yl 2-[3,5-di(pyrazin-2-yl)-1,2,4-triazol-1-yl]acetate

propan-2-yl 2-[3,5-di(pyrazin-2-yl)-1,2,4-triazol-1-yl]acetate (PubChem CID 43839966) has the molecular formula C15H15N7O2 and a molecular weight of 325.33 g/mol. Its IUPAC name is propan-2-yl 2-[3,5-di(pyrazin-2-yl)-1,2,4-triazol-1-yl]acetate.

Molecular Properties

Compound Namepropan-2-yl 2-[3,5-di(pyrazin-2-yl)-1,2,4-triazol-1-yl]acetate
PubChem CID43839966
Molecular FormulaC15H15N7O2
Molecular Weight325.33 g/mol
Exact Mass325.13
IUPAC Namepropan-2-yl 2-[3,5-di(pyrazin-2-yl)-1,2,4-triazol-1-yl]acetate
SMILESCC(C)OC(=O)Cn1nc(-c2cnccn2)nc1-c1cnccn1
InChIInChI=1S/C15H15N7O2/c1-10(2)24-13(23)9-22-15(12-8-17-4-6-19-12)20-14(21-22)11-7-16-3-5-18-11/h3-8,10H,9H2,1-2H3
InChIKeyQRPFGVLEMPJTCK-UHFFFAOYSA-N
XLogP1.14
TPSA108.57 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.33
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[3,5-di(pyrazin-2-yl)-1,2,4-triazol-1-yl]acetate?
The IUPAC name of propan-2-yl 2-[3,5-di(pyrazin-2-yl)-1,2,4-triazol-1-yl]acetate (CID 43839966) is propan-2-yl 2-[3,5-di(pyrazin-2-yl)-1,2,4-triazol-1-yl]acetate.
What is the SMILES notation for propan-2-yl 2-[3,5-di(pyrazin-2-yl)-1,2,4-triazol-1-yl]acetate?
The canonical SMILES for propan-2-yl 2-[3,5-di(pyrazin-2-yl)-1,2,4-triazol-1-yl]acetate is CC(C)OC(=O)Cn1nc(-c2cnccn2)nc1-c1cnccn1.
What is the InChIKey of propan-2-yl 2-[3,5-di(pyrazin-2-yl)-1,2,4-triazol-1-yl]acetate?
The InChIKey is QRPFGVLEMPJTCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N7O2/c1-10(2)24-13(23)9-22-15(12-8-17-4-6-19-12)20-14(21-22)11-7-16-3-5-18-11/h3-8,10H,9H2,1-2H3.
What are the key properties of propan-2-yl 2-[3,5-di(pyrazin-2-yl)-1,2,4-triazol-1-yl]acetate?
propan-2-yl 2-[3,5-di(pyrazin-2-yl)-1,2,4-triazol-1-yl]acetate has a molecular weight of 325.33 g/mol, XLogP of 1.14, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[3,5-di(pyrazin-2-yl)-1,2,4-triazol-1-yl]acetate is sourced from PubChem (CID 43839966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).