propan-2-yl 2-(2H-triazin-1-yl)acetate

C8H13N3O2 — CID 140973150

IUPACpropan-2-yl 2-(2H-triazin-1-yl)acetate
SMILESCC(C)OC(=O)CN1C=CC=NN1
InChIInChI=1S/C8H13N3O2/c1-7(2)13-8(12)6-11-5-3-4-9-10-11/h3-5,7,10H,6H2,1-2H3
InChIKeyYRMBHMXJCKPNNL-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.26
Rot. Bonds3

About propan-2-yl 2-(2H-triazin-1-yl)acetate

propan-2-yl 2-(2H-triazin-1-yl)acetate (PubChem CID 140973150) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is propan-2-yl 2-(2H-triazin-1-yl)acetate.

Molecular Properties

Compound Namepropan-2-yl 2-(2H-triazin-1-yl)acetate
PubChem CID140973150
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Namepropan-2-yl 2-(2H-triazin-1-yl)acetate
SMILESCC(C)OC(=O)CN1C=CC=NN1
InChIInChI=1S/C8H13N3O2/c1-7(2)13-8(12)6-11-5-3-4-9-10-11/h3-5,7,10H,6H2,1-2H3
InChIKeyYRMBHMXJCKPNNL-UHFFFAOYSA-N
XLogP0.26
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-amino-2H-pyrimidine-2-carboxylate
CID 141332589

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-(2H-triazin-1-yl)acetate?
The IUPAC name of propan-2-yl 2-(2H-triazin-1-yl)acetate (CID 140973150) is propan-2-yl 2-(2H-triazin-1-yl)acetate.
What is the SMILES notation for propan-2-yl 2-(2H-triazin-1-yl)acetate?
The canonical SMILES for propan-2-yl 2-(2H-triazin-1-yl)acetate is CC(C)OC(=O)CN1C=CC=NN1.
What is the InChIKey of propan-2-yl 2-(2H-triazin-1-yl)acetate?
The InChIKey is YRMBHMXJCKPNNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-7(2)13-8(12)6-11-5-3-4-9-10-11/h3-5,7,10H,6H2,1-2H3.
What are the key properties of propan-2-yl 2-(2H-triazin-1-yl)acetate?
propan-2-yl 2-(2H-triazin-1-yl)acetate has a molecular weight of 183.21 g/mol, XLogP of 0.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-(2H-triazin-1-yl)acetate is sourced from PubChem (CID 140973150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).