2-[6-(2-hydroxyethyl)-1,2,4,5-tetrazin-3-yl]ethyl 2,2-dimethylpropanoate

C11H18N4O3 — CID 140927511

IUPAC2-[6-(2-hydroxyethyl)-1,2,4,5-tetrazin-3-yl]ethyl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OCCc1nnc(CCO)nn1
InChIInChI=1S/C11H18N4O3/c1-11(2,3)10(17)18-7-5-9-14-12-8(4-6-16)13-15-9/h16H,4-7H2,1-3H3
InChIKeyOUZKPNAOUQPYEP-UHFFFAOYSA-N
MW254.29 g/mol
LogP-0.07
Rot. Bonds5

About 2-[6-(2-hydroxyethyl)-1,2,4,5-tetrazin-3-yl]ethyl 2,2-dimethylpropanoate

2-[6-(2-hydroxyethyl)-1,2,4,5-tetrazin-3-yl]ethyl 2,2-dimethylpropanoate (PubChem CID 140927511) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-[6-(2-hydroxyethyl)-1,2,4,5-tetrazin-3-yl]ethyl 2,2-dimethylpropanoate.

Molecular Properties

Compound Name2-[6-(2-hydroxyethyl)-1,2,4,5-tetrazin-3-yl]ethyl 2,2-dimethylpropanoate
PubChem CID140927511
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC Name2-[6-(2-hydroxyethyl)-1,2,4,5-tetrazin-3-yl]ethyl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OCCc1nnc(CCO)nn1
InChIInChI=1S/C11H18N4O3/c1-11(2,3)10(17)18-7-5-9-14-12-8(4-6-16)13-15-9/h16H,4-7H2,1-3H3
InChIKeyOUZKPNAOUQPYEP-UHFFFAOYSA-N
XLogP-0.07
TPSA98.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl 2,2-dimethylpropanoate
CID 154107632
2-aminooxyethyl 2,2-dimethylpropanoate
CID 130209024
2-(2,2,2-trifluoroacetyl)oxyethyl 2,2-dimethylpropanoate
CID 90159990
3,3-difluorobutyl 2,2-dimethylpropanoate
CID 58568306
2-(2,2-dimethylpropanoyloxy)ethyl 4-oxopentanoate
CID 122591225
2-prop-2-enoxyethyl 2,2-dimethylpropanoate
CID 89277080
2-(2,2-dimethylpropanoyloxy)ethyl 4,4-dimethylpentanoate
CID 177089265
2-(2-butoxyethoxy)ethyl 2,2-dimethylpropanoate
CID 88970613
3,3,3-trichloropropyl 2,2-dimethylpropanoate
CID 173447472
(3-chloro-3-oxopropyl) 2,2-dimethylpropanoate
CID 135073492
2-cyclohexa-1,5-dien-1-ylethyl 2,2-dimethylpropanoate
CID 91165512
(3-amino-3-iminopropyl) 2,2-dimethylpropanoate
CID 159975596

Frequently Asked Questions

What is the IUPAC name of 2-[6-(2-hydroxyethyl)-1,2,4,5-tetrazin-3-yl]ethyl 2,2-dimethylpropanoate?
The IUPAC name of 2-[6-(2-hydroxyethyl)-1,2,4,5-tetrazin-3-yl]ethyl 2,2-dimethylpropanoate (CID 140927511) is 2-[6-(2-hydroxyethyl)-1,2,4,5-tetrazin-3-yl]ethyl 2,2-dimethylpropanoate.
What is the SMILES notation for 2-[6-(2-hydroxyethyl)-1,2,4,5-tetrazin-3-yl]ethyl 2,2-dimethylpropanoate?
The canonical SMILES for 2-[6-(2-hydroxyethyl)-1,2,4,5-tetrazin-3-yl]ethyl 2,2-dimethylpropanoate is CC(C)(C)C(=O)OCCc1nnc(CCO)nn1.
What is the InChIKey of 2-[6-(2-hydroxyethyl)-1,2,4,5-tetrazin-3-yl]ethyl 2,2-dimethylpropanoate?
The InChIKey is OUZKPNAOUQPYEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-11(2,3)10(17)18-7-5-9-14-12-8(4-6-16)13-15-9/h16H,4-7H2,1-3H3.
What are the key properties of 2-[6-(2-hydroxyethyl)-1,2,4,5-tetrazin-3-yl]ethyl 2,2-dimethylpropanoate?
2-[6-(2-hydroxyethyl)-1,2,4,5-tetrazin-3-yl]ethyl 2,2-dimethylpropanoate has a molecular weight of 254.29 g/mol, XLogP of -0.07, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2-hydroxyethyl)-1,2,4,5-tetrazin-3-yl]ethyl 2,2-dimethylpropanoate is sourced from PubChem (CID 140927511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).